[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate

C30H34N2O7 — CID 163912501

IUPAC[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate
SMILESCOc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CN(CCCC(C)=O)C(=O)OCOC(C)=O
InChIInChI=1S/C30H34N2O7/c1-21(33)10-9-17-32(30(35)39-20-38-23(3)34)18-25-15-16-28(31-29(25)36-4)37-19-26-13-8-14-27(22(26)2)24-11-6-5-7-12-24/h5-8,11-16H,9-10,17-20H2,1-4H3
InChIKeyQTJFEBYELXKWHF-UHFFFAOYSA-N
MW534.61 g/mol
LogP5.47
Rot. Bonds13

About [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate

[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate (PubChem CID 163912501) has the molecular formula C30H34N2O7 and a molecular weight of 534.61 g/mol. Its IUPAC name is [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate.

Molecular Properties

Compound Name[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate
PubChem CID163912501
Molecular FormulaC30H34N2O7
Molecular Weight534.61 g/mol
Exact Mass534.24
IUPAC Name[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate
SMILESCOc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CN(CCCC(C)=O)C(=O)OCOC(C)=O
InChIInChI=1S/C30H34N2O7/c1-21(33)10-9-17-32(30(35)39-20-38-23(3)34)18-25-15-16-28(31-29(25)36-4)37-19-26-13-8-14-27(22(26)2)24-11-6-5-7-12-24/h5-8,11-16H,9-10,17-20H2,1-4H3
InChIKeyQTJFEBYELXKWHF-UHFFFAOYSA-N
XLogP5.47
TPSA104.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.61
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate 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

N'-[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]acetohydrazide
CID 166544455
3-[[2-methoxy-6-[[3-[3-[[6-methoxy-5-[(3-oxobutylamino)methyl]-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methylamino]propanamide
CID 162033449
N-[4-[6-[[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]butyl]acetamide
CID 160722041
N-(3-aminopropyl)acetamide;deuterio(fluoro)methane;2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridine-3-carbaldehyde;N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methylamino]ethyl]acetamide;hydrochloride
CID 159051568
2-[(4-amino-4-oxobutyl)-[[6-[[3-[3-[[5-[[(4-amino-4-oxobutyl)-ethylamino]methyl]-3-bromo-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-bromo-2-methoxy-3-pyridinyl]methyl]amino]acetic acid
CID 167160244
(3R)-3-hydroxy-6-[6-[[3-[3-[[5-[[[(2S)-2-hydroxy-4-oxopentyl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]hexanoic acid
CID 160831793
4-[[6-[[3-[3-[[5-[[(3-carboxy-3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-2,2-difluoro-3-hydroxybutanoic acid
CID 135361206
[1-[[6-[[3-[3-[[5-[[(1-ethylcyclopropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclopropyl]methanol
CID 159267555
4-[[6-[[3-[3-[[5-[[(3-carboxy-2-hydroxypropyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-fluorophenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-3-hydroxybutanoic acid
CID 135361375
[1-[[6-[[3-[3-[[5-[[(1-ethylcyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]cyclohexyl]methanol
CID 159267558
6-[[3-[2-fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
4-[[3-methyl-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]butan-2-one
CID 121460110

Frequently Asked Questions

What is the IUPAC name of [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate?
The IUPAC name of [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate (CID 163912501) is [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate.
What is the SMILES notation for [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate?
The canonical SMILES for [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate is COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1CN(CCCC(C)=O)C(=O)OCOC(C)=O.
What is the InChIKey of [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate?
The InChIKey is QTJFEBYELXKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O7/c1-21(33)10-9-17-32(30(35)39-20-38-23(3)34)18-25-15-16-28(31-29(25)36-4)37-19-26-13-8-14-27(22(26)2)24-11-6-5-7-12-24/h5-8,11-16H,9-10,17-20H2,1-4H3.
What are the key properties of [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate?
[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate has a molecular weight of 534.61 g/mol, XLogP of 5.47, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl-(4-oxopentyl)carbamoyl]oxymethyl acetate is sourced from PubChem (CID 163912501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).