N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide

C18H25NO2 — CID 142619732

IUPACN-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide
SMILESC=CC(CCC)(CCC)C(=O)N(C(C)=O)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-5-13-18(7-3,14-6-2)17(21)19(15(4)20)16-11-9-8-10-12-16/h7-12H,3,5-6,13-14H2,1-2,4H3
InChIKeyUCDDAWJZLNBGLC-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.34
Rot. Bonds7

About N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide

N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide (PubChem CID 142619732) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide.

Molecular Properties

Compound NameN-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide
PubChem CID142619732
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide
SMILESC=CC(CCC)(CCC)C(=O)N(C(C)=O)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-5-13-18(7-3,14-6-2)17(21)19(15(4)20)16-11-9-8-10-12-16/h7-12H,3,5-6,13-14H2,1-2,4H3
InChIKeyUCDDAWJZLNBGLC-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5Z)-nona-3,5,8-trien-4-yl]-N-phenylacetamide
CID 134254475
ethyl 3-(N-acetylanilino)-2-ethylbut-3-enoate
CID 23266691
N-[ethyl(methyl)carbamoyl]-N-phenylacetamide
CID 155277050
N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895
3-ethenyl-3-[(4-methoxyphenyl)methyl]hexan-2-one
CID 54439154
butane;1,1-diphenylurea
CID 70397101
N-butyl-N-phenylprop-2-enamide
CID 43619884
N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide
CID 102171852
4-hydroxy-2-methyl-4-(N-methylanilino)hex-1-en-3-one
CID 140563950
3-benzyl-3-ethenylhex-5-en-2-one
CID 101401737
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
N-(2-methylbutan-2-yl)-N-phenylprop-2-enamide
CID 139520013

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide?
The IUPAC name of N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide (CID 142619732) is N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide.
What is the SMILES notation for N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide?
The canonical SMILES for N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide is C=CC(CCC)(CCC)C(=O)N(C(C)=O)c1ccccc1.
What is the InChIKey of N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide?
The InChIKey is UCDDAWJZLNBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-13-18(7-3,14-6-2)17(21)19(15(4)20)16-11-9-8-10-12-16/h7-12H,3,5-6,13-14H2,1-2,4H3.
What are the key properties of N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide?
N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide has a molecular weight of 287.40 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide is sourced from PubChem (CID 142619732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).