N-benzylprop-2-enamide;N-butylbutan-1-amine

C18H30N2O — CID 66969925

IUPACN-benzylprop-2-enamide;N-butylbutan-1-amine
SMILESC=CC(=O)NCc1ccccc1.CCCCNCCCC
InChIInChI=1S/C10H11NO.C8H19N/c1-2-10(12)11-8-9-6-4-3-5-7-9;1-3-5-7-9-8-6-4-2/h2-7H,1,8H2,(H,11,12);9H,3-8H2,1-2H3
InChIKeyJIFMVIFFLWMHQB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.66
Rot. Bonds9

About N-benzylprop-2-enamide;N-butylbutan-1-amine

N-benzylprop-2-enamide;N-butylbutan-1-amine (PubChem CID 66969925) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-benzylprop-2-enamide;N-butylbutan-1-amine.

Molecular Properties

Compound NameN-benzylprop-2-enamide;N-butylbutan-1-amine
PubChem CID66969925
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-benzylprop-2-enamide;N-butylbutan-1-amine
SMILESC=CC(=O)NCc1ccccc1.CCCCNCCCC
InChIInChI=1S/C10H11NO.C8H19N/c1-2-10(12)11-8-9-6-4-3-5-7-9;1-3-5-7-9-8-6-4-2/h2-7H,1,8H2,(H,11,12);9H,3-8H2,1-2H3
InChIKeyJIFMVIFFLWMHQB-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butylbutan-1-amine;N-propylprop-2-enamide
CID 22596638
N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 174986700
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-[(4-anilinophenyl)methyl]prop-2-enamide
CID 57298841
azane;N-benzylbutan-1-amine
CID 175388745
2-(prop-2-enoylamino)ethyl N-benzylcarbamate
CID 166676407
N-benzylundecanamide
CID 5078198
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-benzylocta-2,3-dienamide
CID 10998784
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394

Frequently Asked Questions

What is the IUPAC name of N-benzylprop-2-enamide;N-butylbutan-1-amine?
The IUPAC name of N-benzylprop-2-enamide;N-butylbutan-1-amine (CID 66969925) is N-benzylprop-2-enamide;N-butylbutan-1-amine.
What is the SMILES notation for N-benzylprop-2-enamide;N-butylbutan-1-amine?
The canonical SMILES for N-benzylprop-2-enamide;N-butylbutan-1-amine is C=CC(=O)NCc1ccccc1.CCCCNCCCC.
What is the InChIKey of N-benzylprop-2-enamide;N-butylbutan-1-amine?
The InChIKey is JIFMVIFFLWMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C8H19N/c1-2-10(12)11-8-9-6-4-3-5-7-9;1-3-5-7-9-8-6-4-2/h2-7H,1,8H2,(H,11,12);9H,3-8H2,1-2H3.
What are the key properties of N-benzylprop-2-enamide;N-butylbutan-1-amine?
N-benzylprop-2-enamide;N-butylbutan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylprop-2-enamide;N-butylbutan-1-amine is sourced from PubChem (CID 66969925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).