3,3-diphenyl-N-prop-2-ynylpropanamide

C18H17NO — CID 30600997

IUPAC3,3-diphenyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-13-19-18(20)14-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,17H,13-14H2,(H,19,20)
InChIKeyARMRBTYQNITTTF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.96
Rot. Bonds5

About 3,3-diphenyl-N-prop-2-ynylpropanamide

3,3-diphenyl-N-prop-2-ynylpropanamide (PubChem CID 30600997) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 3,3-diphenyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-prop-2-ynylpropanamide
PubChem CID30600997
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name3,3-diphenyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-13-19-18(20)14-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,17H,13-14H2,(H,19,20)
InChIKeyARMRBTYQNITTTF-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.96
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

2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
3,3-diphenyl-N-propylpropanamide
CID 4638647
[2-oxo-2-(prop-2-ynylamino)ethyl]-triphenylphosphanium bromide
CID 155926267
N-methyl-3,3-diphenylpropanamide
CID 3373592
1-benzhydryl-3-prop-2-ynylurea
CID 41304336
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90574890
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
CID 60551468
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377
3,3-diphenyl-N-(trideuteriomethyl)propanamide
CID 46782233

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-prop-2-ynylpropanamide?
The IUPAC name of 3,3-diphenyl-N-prop-2-ynylpropanamide (CID 30600997) is 3,3-diphenyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3,3-diphenyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 3,3-diphenyl-N-prop-2-ynylpropanamide is C#CCNC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-N-prop-2-ynylpropanamide?
The InChIKey is ARMRBTYQNITTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-13-19-18(20)14-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h1,3-12,17H,13-14H2,(H,19,20).
What are the key properties of 3,3-diphenyl-N-prop-2-ynylpropanamide?
3,3-diphenyl-N-prop-2-ynylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 30600997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).