[1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate

C50H51N5O6 — CID 140544552

IUPAC[1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate
SMILESCOc1cc(CNCCNC(=O)c2cccc(NC(=O)CCN3CCC(OC(=O)Nc4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)CC3)c2)ccc1O
InChIInChI=1S/C50H51N5O6/c1-60-46-32-35(22-23-45(46)56)34-51-27-28-52-49(58)38-16-10-17-39(33-38)53-47(57)26-31-55-29-24-40(25-30-55)61-50(59)54-44-21-11-20-42(37-14-6-3-7-15-37)48(44)43-19-9-8-18-41(43)36-12-4-2-5-13-36/h2-23,32-33,40,51,56H,24-31,34H2,1H3,(H,52,58)(H,53,57)(H,54,59)
InChIKeyGWQWOIPSZQKGCZ-UHFFFAOYSA-N
MW817.99 g/mol
LogP8.96
Rot. Bonds16

About [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate

[1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate (PubChem CID 140544552) has the molecular formula C50H51N5O6 and a molecular weight of 817.99 g/mol. Its IUPAC name is [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate.

Molecular Properties

Compound Name[1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate
PubChem CID140544552
Molecular FormulaC50H51N5O6
Molecular Weight817.99 g/mol
Exact Mass817.38
IUPAC Name[1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate
SMILESCOc1cc(CNCCNC(=O)c2cccc(NC(=O)CCN3CCC(OC(=O)Nc4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)CC3)c2)ccc1O
InChIInChI=1S/C50H51N5O6/c1-60-46-32-35(22-23-45(46)56)34-51-27-28-52-49(58)38-16-10-17-39(33-38)53-47(57)26-31-55-29-24-40(25-30-55)61-50(59)54-44-21-11-20-42(37-14-6-3-7-15-37)48(44)43-19-9-8-18-41(43)36-12-4-2-5-13-36/h2-23,32-33,40,51,56H,24-31,34H2,1H3,(H,52,58)(H,53,57)(H,54,59)
InChIKeyGWQWOIPSZQKGCZ-UHFFFAOYSA-N
XLogP8.96
TPSA141.26 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 58.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]benzoyl]amino]ethyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate
CID 140544550
[1-[2-[[3-[2-[(3-hydroxyphenyl)methylamino]ethylcarbamoyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11996296
[1-[2-[[2-[3-[3-(cyclopropylamino)propanoylamino]phenyl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate
CID 140544577
[1-[2-[[3-[[2-[cyclopropyl(methyl)amino]acetyl]amino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853462
[1-[2-[[3-[2-[(2-hydroxyphenyl)methylamino]ethylcarbamoyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11996146
[1-[2-[methyl-[3-[3-(methylamino)propanoylamino]benzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853710
[1-[3-[3-[3-[(3-hydroxy-4-methoxyphenyl)methylamino]propyl]-2-oxoimidazolidin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11996601
[1-[2-[[3-[[2-(ethylamino)acetyl]amino]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853459
[1-[9-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44595573
[1-[3-[4-[[[(2S)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]methyl]anilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 87444554
[1-[3-oxo-3-[4-[(sulfonylamino)methyl]anilino]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 87136699
[1-[2-[[4-[[(2-methoxyphenyl)methylamino]methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11997494

Frequently Asked Questions

What is the IUPAC name of [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate?
The IUPAC name of [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate (CID 140544552) is [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate.
What is the SMILES notation for [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate?
The canonical SMILES for [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate is COc1cc(CNCCNC(=O)c2cccc(NC(=O)CCN3CCC(OC(=O)Nc4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)CC3)c2)ccc1O.
What is the InChIKey of [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate?
The InChIKey is GWQWOIPSZQKGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H51N5O6/c1-60-46-32-35(22-23-45(46)56)34-51-27-28-52-49(58)38-16-10-17-39(33-38)53-47(57)26-31-55-29-24-40(25-30-55)61-50(59)54-44-21-11-20-42(37-14-6-3-7-15-37)48(44)43-19-9-8-18-41(43)36-12-4-2-5-13-36/h2-23,32-33,40,51,56H,24-31,34H2,1H3,(H,52,58)(H,53,57)(H,54,59).
What are the key properties of [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate?
[1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate has a molecular weight of 817.99 g/mol, XLogP of 8.96, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[3-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethylcarbamoyl]anilino]-3-oxopropyl]piperidin-4-yl] N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbamate is sourced from PubChem (CID 140544552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).