(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

C18H24N4O — CID 100844368

IUPAC(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H](C)n1cccn1
InChIInChI=1S/C18H24N4O/c1-13(14(2)22-12-6-11-19-22)20-17(15-7-4-3-5-8-15)18(23)21-16-9-10-16/h3-8,11-14,16-17,20H,9-10H2,1-2H3,(H,21,23)/t13-,14+,17+/m0/s1
InChIKeyFNCIOKIICZUBDG-JJRVBVJISA-N
MW312.42 g/mol
LogP2.44
Rot. Bonds7

About (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (PubChem CID 100844368) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
PubChem CID100844368
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H](C)n1cccn1
InChIInChI=1S/C18H24N4O/c1-13(14(2)22-12-6-11-19-22)20-17(15-7-4-3-5-8-15)18(23)21-16-9-10-16/h3-8,11-14,16-17,20H,9-10H2,1-2H3,(H,21,23)/t13-,14+,17+/m0/s1
InChIKeyFNCIOKIICZUBDG-JJRVBVJISA-N
XLogP2.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 98759043
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]acetamide
CID 100844392
4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
(2S)-N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 97014680
(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
N-cyclopropyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylacetamide
CID 75457143
4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 93329821
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
N-[cyclopropyl(phenyl)methyl]-2-pyrazol-1-ylpropanamide
CID 134048874
2-phenyl-N-(1-propylpiperidin-4-yl)-2-pyrazol-1-ylacetamide
CID 51108379
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (CID 100844368) is (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H](C)n1cccn1.
What is the InChIKey of (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The InChIKey is FNCIOKIICZUBDG-JJRVBVJISA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(14(2)22-12-6-11-19-22)20-17(15-7-4-3-5-8-15)18(23)21-16-9-10-16/h3-8,11-14,16-17,20H,9-10H2,1-2H3,(H,21,23)/t13-,14+,17+/m0/s1.
What are the key properties of (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
(2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-phenyl-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 100844368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).