N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide

C16H21N5O — CID 75457143

IUPACN-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide
SMILESCC(NC(C(=O)NC1CC1)c1ccccc1)c1nncn1C
InChIInChI=1S/C16H21N5O/c1-11(15-20-17-10-21(15)2)18-14(12-6-4-3-5-7-12)16(22)19-13-8-9-13/h3-7,10-11,13-14,18H,8-9H2,1-2H3,(H,19,22)
InChIKeyUGQBMBIXWZWROG-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.49
Rot. Bonds6

About N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide

N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide (PubChem CID 75457143) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide
PubChem CID75457143
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide
SMILESCC(NC(C(=O)NC1CC1)c1ccccc1)c1nncn1C
InChIInChI=1S/C16H21N5O/c1-11(15-20-17-10-21(15)2)18-14(12-6-4-3-5-7-12)16(22)19-13-8-9-13/h3-7,10-11,13-14,18H,8-9H2,1-2H3,(H,19,22)
InChIKeyUGQBMBIXWZWROG-UHFFFAOYSA-N
XLogP1.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide
CID 97021677
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94047977
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
(2S)-2-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylacetamide
CID 104897284
(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
CID 8646021
N-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
CID 42897384
(2R)-N-cyclopropyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041090
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 100844368
(2S)-N-cyclopropyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-phenylacetamide
CID 9041075
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 98759043
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-phenylbutan-1-amine
CID 43702946
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide (CID 75457143) is N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide is CC(NC(C(=O)NC1CC1)c1ccccc1)c1nncn1C.
What is the InChIKey of N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide?
The InChIKey is UGQBMBIXWZWROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11(15-20-17-10-21(15)2)18-14(12-6-4-3-5-7-12)16(22)19-13-8-9-13/h3-7,10-11,13-14,18H,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide?
N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide has a molecular weight of 299.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 75457143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).