N-(4-methylphenyl)pent-4-ynamide

C12H13NO — CID 82363120

IUPACN-(4-methylphenyl)pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H13NO/c1-3-4-5-12(14)13-11-8-6-10(2)7-9-11/h1,6-9H,4-5H2,2H3,(H,13,14)
InChIKeyNLYWEJVDPACMOP-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.35
Rot. Bonds3

About N-(4-methylphenyl)pent-4-ynamide

N-(4-methylphenyl)pent-4-ynamide (PubChem CID 82363120) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(4-methylphenyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(4-methylphenyl)pent-4-ynamide
PubChem CID82363120
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN-(4-methylphenyl)pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C12H13NO/c1-3-4-5-12(14)13-11-8-6-10(2)7-9-11/h1,6-9H,4-5H2,2H3,(H,13,14)
InChIKeyNLYWEJVDPACMOP-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.35
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

N-(4-fluorophenyl)pent-4-ynamide
CID 72544109
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
(Z)-2-cyano-3-hydroxy-N-(4-methylphenyl)hept-2-en-6-ynamide
CID 89331992
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(4-methylphenyl)pentanamide
CID 3662375
N,3-bis(4-methylphenyl)propanamide
CID 19220434
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-(4-methylphenyl)prop-2-ynamide
CID 14491742
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)pent-4-ynamide?
The IUPAC name of N-(4-methylphenyl)pent-4-ynamide (CID 82363120) is N-(4-methylphenyl)pent-4-ynamide.
What is the SMILES notation for N-(4-methylphenyl)pent-4-ynamide?
The canonical SMILES for N-(4-methylphenyl)pent-4-ynamide is C#CCCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)pent-4-ynamide?
The InChIKey is NLYWEJVDPACMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-4-5-12(14)13-11-8-6-10(2)7-9-11/h1,6-9H,4-5H2,2H3,(H,13,14).
What are the key properties of N-(4-methylphenyl)pent-4-ynamide?
N-(4-methylphenyl)pent-4-ynamide has a molecular weight of 187.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)pent-4-ynamide is sourced from PubChem (CID 82363120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).