N-methyl-3,5-diphenylpent-4-ynamide

C18H17NO — CID 135041577

IUPACN-methyl-3,5-diphenylpent-4-ynamide
SMILESCNC(=O)CC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-19-18(20)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17H,14H2,1H3,(H,19,20)
InChIKeyONWWBDDZMNGBMZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.96
Rot. Bonds3

About N-methyl-3,5-diphenylpent-4-ynamide

N-methyl-3,5-diphenylpent-4-ynamide (PubChem CID 135041577) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-3,5-diphenylpent-4-ynamide.

Molecular Properties

Compound NameN-methyl-3,5-diphenylpent-4-ynamide
PubChem CID135041577
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-methyl-3,5-diphenylpent-4-ynamide
SMILESCNC(=O)CC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-19-18(20)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17H,14H2,1H3,(H,19,20)
InChIKeyONWWBDDZMNGBMZ-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(4R)-1,1-difluoro-4,6-diphenylhex-5-yn-2-one
CID 134949108
N-methyl-3,3-diphenylpropanamide
CID 3373592
3-(4-bromophenyl)-1,5-diphenylpent-4-yn-1-one
CID 71723905
N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
CID 86086708
1,4,6-triphenylhex-5-yn-1-one
CID 166443450
N-methyl-3-phenyl-3-trimethylsilylpropanamide
CID 16732522
(4R)-6-(4-chlorophenyl)-1,1,1-trifluoro-4-phenylhex-5-yn-2-one
CID 162539706
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608
4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 85222036
(4R)-4-(3-bromophenyl)-1,1,1-trifluoro-6-phenylhex-5-yn-2-one
CID 162539698
(4S)-4-hydroxy-6-phenylhex-5-yn-2-one
CID 130635679

Frequently Asked Questions

What is the IUPAC name of N-methyl-3,5-diphenylpent-4-ynamide?
The IUPAC name of N-methyl-3,5-diphenylpent-4-ynamide (CID 135041577) is N-methyl-3,5-diphenylpent-4-ynamide.
What is the SMILES notation for N-methyl-3,5-diphenylpent-4-ynamide?
The canonical SMILES for N-methyl-3,5-diphenylpent-4-ynamide is CNC(=O)CC(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-3,5-diphenylpent-4-ynamide?
The InChIKey is ONWWBDDZMNGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-19-18(20)14-17(16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,17H,14H2,1H3,(H,19,20).
What are the key properties of N-methyl-3,5-diphenylpent-4-ynamide?
N-methyl-3,5-diphenylpent-4-ynamide has a molecular weight of 263.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,5-diphenylpent-4-ynamide is sourced from PubChem (CID 135041577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).