N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide

C18H20N2O4 — CID 56782033

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)NC(Cc2ccccc2)C(N)=O)c1O
InChIInChI=1S/C18H20N2O4/c1-11-8-13(16(21)15(9-11)24-2)18(23)20-14(17(19)22)10-12-6-4-3-5-7-12/h3-9,14,21H,10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyAXRMALXMBIOARS-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.54
Rot. Bonds6

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide (PubChem CID 56782033) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide
PubChem CID56782033
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide
SMILESCOc1cc(C)cc(C(=O)NC(Cc2ccccc2)C(N)=O)c1O
InChIInChI=1S/C18H20N2O4/c1-11-8-13(16(21)15(9-11)24-2)18(23)20-14(17(19)22)10-12-6-4-3-5-7-12/h3-9,14,21H,10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyAXRMALXMBIOARS-UHFFFAOYSA-N
XLogP1.54
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide 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

methyl (2S)-2-[(3,5-dichloro-2-hydroxy-4-methylbenzoyl)amino]-3-phenylpropanoate
CID 59932404
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
methyl (2S)-2-[(4-amino-3,5-dichloro-2-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 91517144
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251
N-[(2S)-1-[[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(2-methoxyanilino)benzamide
CID 46853770
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide (CID 56782033) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide is COc1cc(C)cc(C(=O)NC(Cc2ccccc2)C(N)=O)c1O.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide?
The InChIKey is AXRMALXMBIOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-8-13(16(21)15(9-11)24-2)18(23)20-14(17(19)22)10-12-6-4-3-5-7-12/h3-9,14,21H,10H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-hydroxy-3-methoxy-5-methylbenzamide is sourced from PubChem (CID 56782033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).