N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride

C29H36ClN3O4 — CID 74956431

IUPACN-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCN(C)CCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NC(CO)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C29H35N3O4.ClH/c1-32(2)17-18-36-26-15-13-23(14-16-26)20-27(31-28(34)24-11-7-4-8-12-24)29(35)30-25(21-33)19-22-9-5-3-6-10-22;/h3-16,25,27,33H,17-21H2,1-2H3,(H,30,35)(H,31,34);1H
InChIKeyTXMLKVGWMLWQRK-UHFFFAOYSA-N
MW526.08 g/mol
LogP3.11
Rot. Bonds13

About N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride

N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride (PubChem CID 74956431) has the molecular formula C29H36ClN3O4 and a molecular weight of 526.08 g/mol. Its IUPAC name is N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride
PubChem CID74956431
Molecular FormulaC29H36ClN3O4
Molecular Weight526.08 g/mol
Exact Mass525.24
IUPAC NameN-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride
SMILESCN(C)CCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NC(CO)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C29H35N3O4.ClH/c1-32(2)17-18-36-26-15-13-23(14-16-26)20-27(31-28(34)24-11-7-4-8-12-24)29(35)30-25(21-33)19-22-9-5-3-6-10-22;/h3-16,25,27,33H,17-21H2,1-2H3,(H,30,35)(H,31,34);1H
InChIKeyTXMLKVGWMLWQRK-UHFFFAOYSA-N
XLogP3.11
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.08
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;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

sodium;hydride;N-[(2S)-3-[4-(hydroxymethoxy)phenyl]-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 173129608
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 4001085
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
4-[[2-[(4-butoxybenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 3075205
N-[(2S)-1-(hydroxyamino)-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
CID 71452975
N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
(2S)-2-[[4-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 66912654
methyl (3S)-3-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-4-(4-hydroxyphenyl)butanoate
CID 70965829
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride (CID 74956431) is N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride is CN(C)CCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NC(CO)Cc2ccccc2)cc1.Cl.
What is the InChIKey of N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride?
The InChIKey is TXMLKVGWMLWQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4.ClH/c1-32(2)17-18-36-26-15-13-23(14-16-26)20-27(31-28(34)24-11-7-4-8-12-24)29(35)30-25(21-33)19-22-9-5-3-6-10-22;/h3-16,25,27,33H,17-21H2,1-2H3,(H,30,35)(H,31,34);1H.
What are the key properties of N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride?
N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride has a molecular weight of 526.08 g/mol, XLogP of 3.11, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 74956431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).