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

C14H18N4O2 — CID 94042520

IUPAC(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1cccc(CN(C)C(=O)[C@@H](C)n2cncn2)c1
InChIInChI=1S/C14H18N4O2/c1-11(18-10-15-9-16-18)14(19)17(2)8-12-5-4-6-13(7-12)20-3/h4-7,9-11H,8H2,1-3H3/t11-/m1/s1
InChIKeyDUSLVDPNNWIKHV-LLVKDONJSA-N
MW274.32 g/mol
LogP1.51
Rot. Bonds5

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

(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 94042520) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID94042520
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1cccc(CN(C)C(=O)[C@@H](C)n2cncn2)c1
InChIInChI=1S/C14H18N4O2/c1-11(18-10-15-9-16-18)14(19)17(2)8-12-5-4-6-13(7-12)20-3/h4-7,9-11H,8H2,1-3H3/t11-/m1/s1
InChIKeyDUSLVDPNNWIKHV-LLVKDONJSA-N
XLogP1.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94042770
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(2-bromo-5-fluorophenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 122146678
(2R)-N-[[3-(phenoxymethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94635448
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
(2R)-2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009414
4-(3-methoxyphenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-ol
CID 15477789
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 94042520) is (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is COc1cccc(CN(C)C(=O)[C@@H](C)n2cncn2)c1.
What is the InChIKey of (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DUSLVDPNNWIKHV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(18-10-15-9-16-18)14(19)17(2)8-12-5-4-6-13(7-12)20-3/h4-7,9-11H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 94042520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).