N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide

C19H20N4O2 — CID 97118561

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCN(CC[C@H](O)c1ccccc1)C(=O)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C19H20N4O2/c1-22(11-10-18(24)15-6-3-2-4-7-15)19(25)16-8-5-9-17(12-16)23-13-20-21-14-23/h2-9,12-14,18,24H,10-11H2,1H3/t18-/m0/s1
InChIKeyQDWUNAMSUYPOHC-SFHVURJKSA-N
MW336.40 g/mol
LogP2.46
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide

N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 97118561) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID97118561
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCN(CC[C@H](O)c1ccccc1)C(=O)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C19H20N4O2/c1-22(11-10-18(24)15-6-3-2-4-7-15)19(25)16-8-5-9-17(12-16)23-13-20-21-14-23/h2-9,12-14,18,24H,10-11H2,1H3/t18-/m0/s1
InChIKeyQDWUNAMSUYPOHC-SFHVURJKSA-N
XLogP2.46
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide 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-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 99936498
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 72844673
N-[(3S)-3-hydroxy-3-phenylpropyl]-N,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95128171
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
CID 19753336
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid
CID 141080062
N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide
CID 146087449
N-[(3R)-3-hydroxy-3-phenylpropyl]-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 99927064
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17395620

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (CID 97118561) is N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is CN(CC[C@H](O)c1ccccc1)C(=O)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is QDWUNAMSUYPOHC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22(11-10-18(24)15-6-3-2-4-7-15)19(25)16-8-5-9-17(12-16)23-13-20-21-14-23/h2-9,12-14,18,24H,10-11H2,1H3/t18-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 97118561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).