(3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide

C20H19NO — CID 68501652

IUPAC(3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide
SMILESO=C(C[C@@H](C#Cc1ccccc1)C1CC1)Nc1ccccc1
InChIInChI=1S/C20H19NO/c22-20(21-19-9-5-2-6-10-19)15-18(17-13-14-17)12-11-16-7-3-1-4-8-16/h1-10,17-18H,13-15H2,(H,21,22)/t18-/m1/s1
InChIKeyYRUAGXNLPFZUNL-GOSISDBHSA-N
MW289.38 g/mol
LogP4.09
Rot. Bonds4

About (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide

(3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide (PubChem CID 68501652) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide
PubChem CID68501652
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name(3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide
SMILESO=C(C[C@@H](C#Cc1ccccc1)C1CC1)Nc1ccccc1
InChIInChI=1S/C20H19NO/c22-20(21-19-9-5-2-6-10-19)15-18(17-13-14-17)12-11-16-7-3-1-4-8-16/h1-10,17-18H,13-15H2,(H,21,22)/t18-/m1/s1
InChIKeyYRUAGXNLPFZUNL-GOSISDBHSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-anilino-2-cyclopropyl-4-oxobutanoic acid
CID 165476532
(1S)-1-cyclopropyl-3-phenylprop-2-yn-1-ol
CID 130716301
N-(2-anilino-2-oxoethyl)-3-cyclopropyl-3-phenylpropanamide
CID 110304551
2-cyclopropyl-N-phenylacetamide
CID 60753326
3-(cyclopentylamino)-N-phenylbutanamide
CID 113218911
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
N-[(3S)-3-cyano-3-cyclopropylpropanoyl]benzamide
CID 134999989
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
CID 111858641
4,4,4-trichloro-3-hydroxy-N-phenylbutanamide
CID 5000265
2-bromo-2-cyclopropyl-N-phenylacetamide
CID 57176041
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide?
The IUPAC name of (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide (CID 68501652) is (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide.
What is the SMILES notation for (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide?
The canonical SMILES for (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide is O=C(C[C@@H](C#Cc1ccccc1)C1CC1)Nc1ccccc1.
What is the InChIKey of (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide?
The InChIKey is YRUAGXNLPFZUNL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19NO/c22-20(21-19-9-5-2-6-10-19)15-18(17-13-14-17)12-11-16-7-3-1-4-8-16/h1-10,17-18H,13-15H2,(H,21,22)/t18-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide?
(3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide has a molecular weight of 289.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-N,5-diphenylpent-4-ynamide is sourced from PubChem (CID 68501652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).