2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide

C20H23N5O — CID 95330709

IUPAC2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
SMILESCc1nc([C@H](NC(=O)CN(C)Cc2ccccc2)c2ccccc2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-15-21-20(24-23-15)19(17-11-7-4-8-12-17)22-18(26)14-25(2)13-16-9-5-3-6-10-16/h3-12,19H,13-14H2,1-2H3,(H,22,26)(H,21,23,24)/t19-/m1/s1
InChIKeyRXKITALURGSKPI-LJQANCHMSA-N
MW349.44 g/mol
LogP2.45
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide

2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide (PubChem CID 95330709) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
PubChem CID95330709
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
SMILESCc1nc([C@H](NC(=O)CN(C)Cc2ccccc2)c2ccccc2)n[nH]1
InChIInChI=1S/C20H23N5O/c1-15-21-20(24-23-15)19(17-11-7-4-8-12-17)22-18(26)14-25(2)13-16-9-5-3-6-10-16/h3-12,19H,13-14H2,1-2H3,(H,22,26)(H,21,23,24)/t19-/m1/s1
InChIKeyRXKITALURGSKPI-LJQANCHMSA-N
XLogP2.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-benzhydryl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964153
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 52523628
1,5-dimethyl-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]pyrrole-2-carboxamide
CID 95334382
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide
CID 56520301
5-bromo-N-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]pyridine-3-carboxamide
CID 94746964
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide (CID 95330709) is 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide is Cc1nc([C@H](NC(=O)CN(C)Cc2ccccc2)c2ccccc2)n[nH]1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
The InChIKey is RXKITALURGSKPI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-21-20(24-23-15)19(17-11-7-4-8-12-17)22-18(26)14-25(2)13-16-9-5-3-6-10-16/h3-12,19H,13-14H2,1-2H3,(H,22,26)(H,21,23,24)/t19-/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide?
2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(R)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 95330709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).