N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide

C12H17NO4 — CID 114078956

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
SMILESCOCC(CO)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO4/c1-16-8-10(7-14)13-12(15)9-3-5-11(17-2)6-4-9/h3-6,10,14H,7-8H2,1-2H3,(H,13,15)
InChIKeySZEPMWQYZVNYFK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.43
Rot. Bonds6

About N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide

N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide (PubChem CID 114078956) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
PubChem CID114078956
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
SMILESCOCC(CO)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO4/c1-16-8-10(7-14)13-12(15)9-3-5-11(17-2)6-4-9/h3-6,10,14H,7-8H2,1-2H3,(H,13,15)
InChIKeySZEPMWQYZVNYFK-UHFFFAOYSA-N
XLogP0.43
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide 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

3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
N-(1-chlorobutan-2-yl)-4-methoxybenzamide
CID 114294761
N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114078983
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
methyl (3S)-4-iodo-3-[(4-methoxybenzoyl)amino]butanoate
CID 25139376
N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
CID 106180246
4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
CID 106188719
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-methoxybenzamide
CID 58343536
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide (CID 114078956) is N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide is COCC(CO)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide?
The InChIKey is SZEPMWQYZVNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-16-8-10(7-14)13-12(15)9-3-5-11(17-2)6-4-9/h3-6,10,14H,7-8H2,1-2H3,(H,13,15).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 114078956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).