N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride

C27H40ClN3O4 — CID 110194274

IUPACN-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride
SMILESCOc1ccc(CN(CC(C)C)C(C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC(C)C.Cl
InChIInChI=1S/C27H39N3O4.ClH/c1-18(2)15-30(16-22-8-13-25(33-7)26(14-22)34-17-19(3)4)20(5)27(32)29-24-11-9-23(10-12-24)28-21(6)31;/h8-14,18-20H,15-17H2,1-7H3,(H,28,31)(H,29,32);1H
InChIKeyPUSXYETYTFHSCM-UHFFFAOYSA-N
MW506.09 g/mol
LogP5.60
Rot. Bonds12

About N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride

N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride (PubChem CID 110194274) has the molecular formula C27H40ClN3O4 and a molecular weight of 506.09 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride
PubChem CID110194274
Molecular FormulaC27H40ClN3O4
Molecular Weight506.09 g/mol
Exact Mass505.27
IUPAC NameN-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride
SMILESCOc1ccc(CN(CC(C)C)C(C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC(C)C.Cl
InChIInChI=1S/C27H39N3O4.ClH/c1-18(2)15-30(16-22-8-13-25(33-7)26(14-22)34-17-19(3)4)20(5)27(32)29-24-11-9-23(10-12-24)28-21(6)31;/h8-14,18-20H,15-17H2,1-7H3,(H,28,31)(H,29,32);1H
InChIKeyPUSXYETYTFHSCM-UHFFFAOYSA-N
XLogP5.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.09
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride 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-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide
CID 110194268
2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940486
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide;hydrate
CID 110194273
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
(2S)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9349342
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7903241
4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 51940490
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2099281

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride?
The IUPAC name of N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride (CID 110194274) is N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride is COc1ccc(CN(CC(C)C)C(C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC(C)C.Cl.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride?
The InChIKey is PUSXYETYTFHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4.ClH/c1-18(2)15-30(16-22-8-13-25(33-7)26(14-22)34-17-19(3)4)20(5)27(32)29-24-11-9-23(10-12-24)28-21(6)31;/h8-14,18-20H,15-17H2,1-7H3,(H,28,31)(H,29,32);1H.
What are the key properties of N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride?
N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride has a molecular weight of 506.09 g/mol, XLogP of 5.60, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-(2-methylpropyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 110194274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).