N-butyl-N-phenylprop-2-enamide

C13H17NO — CID 43619884

IUPACN-butyl-N-phenylprop-2-enamide
SMILESC=CC(=O)N(CCCC)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11H2,1H3
InChIKeyOFMANVMRVVQHPS-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.01
Rot. Bonds5

About N-butyl-N-phenylprop-2-enamide

N-butyl-N-phenylprop-2-enamide (PubChem CID 43619884) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-butyl-N-phenylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-phenylprop-2-enamide
PubChem CID43619884
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-butyl-N-phenylprop-2-enamide
SMILESC=CC(=O)N(CCCC)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11H2,1H3
InChIKeyOFMANVMRVVQHPS-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-decyl-N-(2-phenylphenyl)prop-2-enamide
CID 172713254
octyl(phenyl)carbamic acid
CID 54301990
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-benzyl-N-(4-octylphenyl)prop-2-enamide
CID 156703845
N-hexyl-N-phenylacetamide
CID 13217997
4-(N-butylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77047527
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
(E)-N-butyl-3-(2-chlorophenyl)-N-phenylprop-2-enamide
CID 17256732
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-N,2,3-triphenylprop-2-enamide
CID 3374282
3-amino-N-butyl-3-methyl-N-phenylbutanamide
CID 64678131

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylprop-2-enamide?
The IUPAC name of N-butyl-N-phenylprop-2-enamide (CID 43619884) is N-butyl-N-phenylprop-2-enamide.
What is the SMILES notation for N-butyl-N-phenylprop-2-enamide?
The canonical SMILES for N-butyl-N-phenylprop-2-enamide is C=CC(=O)N(CCCC)c1ccccc1.
What is the InChIKey of N-butyl-N-phenylprop-2-enamide?
The InChIKey is OFMANVMRVVQHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h4,6-10H,2-3,5,11H2,1H3.
What are the key properties of N-butyl-N-phenylprop-2-enamide?
N-butyl-N-phenylprop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylprop-2-enamide is sourced from PubChem (CID 43619884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).