2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate

C28H32N4O3 — CID 173183282

IUPAC2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
SMILESNCc1ccc(C(=O)NCCOC(=O)N(c2ccccc2-c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C28H32N4O3/c29-21-22-13-15-24(16-14-22)27(33)30-17-20-35-28(34)32(31-18-7-2-8-19-31)26-12-6-5-11-25(26)23-9-3-1-4-10-23/h1,3-6,9-16H,2,7-8,17-21,29H2,(H,30,33)
InChIKeyKOXCMHQIEBWOPV-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.59
Rot. Bonds8

About 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate

2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate (PubChem CID 173183282) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Name2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
PubChem CID173183282
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
SMILESNCc1ccc(C(=O)NCCOC(=O)N(c2ccccc2-c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C28H32N4O3/c29-21-22-13-15-24(16-14-22)27(33)30-17-20-35-28(34)32(31-18-7-2-8-19-31)26-12-6-5-11-25(26)23-9-3-1-4-10-23/h1,3-6,9-16H,2,7-8,17-21,29H2,(H,30,33)
InChIKeyKOXCMHQIEBWOPV-UHFFFAOYSA-N
XLogP4.59
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[4-[(2-hydroxyethylamino)methyl]phenyl]acetyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
CID 173143108
2-[[2-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]acetyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
CID 173196444
2-[[2-[3-[2-(furan-2-ylmethylamino)ethylcarbamoyl]phenyl]-2-oxoethyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
CID 173164596
2-[methyl-[3-[4-(methylaminomethyl)phenyl]propanoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate
CID 173143042
N-[2-(2-phenylphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 52876890
4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 119277149
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7346826
N-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]benzamide
CID 118949792
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate?
The IUPAC name of 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate (CID 173183282) is 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate.
What is the SMILES notation for 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate?
The canonical SMILES for 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate is NCc1ccc(C(=O)NCCOC(=O)N(c2ccccc2-c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate?
The InChIKey is KOXCMHQIEBWOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c29-21-22-13-15-24(16-14-22)27(33)30-17-20-35-28(34)32(31-18-7-2-8-19-31)26-12-6-5-11-25(26)23-9-3-1-4-10-23/h1,3-6,9-16H,2,7-8,17-21,29H2,(H,30,33).
What are the key properties of 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate?
2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate has a molecular weight of 472.59 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)benzoyl]amino]ethyl N-(2-phenylphenyl)-N-piperidin-1-ylcarbamate is sourced from PubChem (CID 173183282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).