(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide

C17H24N4O — CID 122147436

IUPAC(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)NCc2ncn(C)n2)cc1
InChIInChI=1S/C17H24N4O/c1-12(2)9-14-5-7-15(8-6-14)13(3)17(22)18-10-16-19-11-21(4)20-16/h5-8,11-13H,9-10H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyYUKCIFSJBCAYJY-ZDUSSCGKSA-N
MW300.41 g/mol
LogP2.43
Rot. Bonds6

About (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide

(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 122147436) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID122147436
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)NCc2ncn(C)n2)cc1
InChIInChI=1S/C17H24N4O/c1-12(2)9-14-5-7-15(8-6-14)13(3)17(22)18-10-16-19-11-21(4)20-16/h5-8,11-13H,9-10H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyYUKCIFSJBCAYJY-ZDUSSCGKSA-N
XLogP2.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 114125272
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
2-[4-(2-methylpropyl)phenyl]-N-(thiophen-2-ylmethyl)propanamide
CID 54782012
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 118460057
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 103951204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 122147436) is (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)Cc1ccc([C@H](C)C(=O)NCc2ncn(C)n2)cc1.
What is the InChIKey of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is YUKCIFSJBCAYJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)9-14-5-7-15(8-6-14)13(3)17(22)18-10-16-19-11-21(4)20-16/h5-8,11-13H,9-10H2,1-4H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 300.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 122147436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).