N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

C16H22N4O2 — CID 99929121

IUPACN-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc([C@@H](CCO)NC(=O)CCc2nncn2C)cc1
InChIInChI=1S/C16H22N4O2/c1-12-3-5-13(6-4-12)14(9-10-21)18-16(22)8-7-15-19-17-11-20(15)2/h3-6,11,14,21H,7-10H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeySSLHVDRTWHHJLZ-CQSZACIVSA-N
MW302.38 g/mol
LogP1.30
Rot. Bonds7

About N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 99929121) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID99929121
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCc1ccc([C@@H](CCO)NC(=O)CCc2nncn2C)cc1
InChIInChI=1S/C16H22N4O2/c1-12-3-5-13(6-4-12)14(9-10-21)18-16(22)8-7-15-19-17-11-20(15)2/h3-6,11,14,21H,7-10H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeySSLHVDRTWHHJLZ-CQSZACIVSA-N
XLogP1.30
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
CID 126431719
N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929107
N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70758162
N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
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N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 131921348
2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106151661
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125169907
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125446347
2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide
CID 125159447
3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 122566824
N-[2-(diethylamino)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 99929121) is N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is Cc1ccc([C@@H](CCO)NC(=O)CCc2nncn2C)cc1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is SSLHVDRTWHHJLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-3-5-13(6-4-12)14(9-10-21)18-16(22)8-7-15-19-17-11-20(15)2/h3-6,11,14,21H,7-10H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 99929121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).