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

C16H20N4O — CID 95308719

IUPAC(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccccc1C1(CNC(=O)[C@@H](C)n2cncn2)CC1
InChIInChI=1S/C16H20N4O/c1-12-5-3-4-6-14(12)16(7-8-16)9-18-15(21)13(2)20-11-17-10-19-20/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyIEEDATQHLNJMMF-CYBMUJFWSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds5

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

(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 95308719) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID95308719
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccccc1C1(CNC(=O)[C@@H](C)n2cncn2)CC1
InChIInChI=1S/C16H20N4O/c1-12-5-3-4-6-14(12)16(7-8-16)9-18-15(21)13(2)20-11-17-10-19-20/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyIEEDATQHLNJMMF-CYBMUJFWSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104
N-(1-benzylcyclopentyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 75504688
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
4-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrimidine-5-carboxamide
CID 126771991
N-[(4-methylpiperidin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 113400510
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 95308719) is (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1ccccc1C1(CNC(=O)[C@@H](C)n2cncn2)CC1.
What is the InChIKey of (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is IEEDATQHLNJMMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-5-3-4-6-14(12)16(7-8-16)9-18-15(21)13(2)20-11-17-10-19-20/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 95308719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).