2-(3-phenylbutylamino)-N-prop-2-enylpropanamide

C16H24N2O — CID 62404774

IUPAC2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCC(C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-4-11-18-16(19)14(3)17-12-10-13(2)15-8-6-5-7-9-15/h4-9,13-14,17H,1,10-12H2,2-3H3,(H,18,19)
InChIKeyYCNTZIJNEGMICM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.46
Rot. Bonds8

About 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide

2-(3-phenylbutylamino)-N-prop-2-enylpropanamide (PubChem CID 62404774) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
PubChem CID62404774
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCCC(C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-4-11-18-16(19)14(3)17-12-10-13(2)15-8-6-5-7-9-15/h4-9,13-14,17H,1,10-12H2,2-3H3,(H,18,19)
InChIKeyYCNTZIJNEGMICM-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
CID 79280576
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049
2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
CID 43087344
methyl 4-phenyl-2-(prop-2-enylamino)pentanoate
CID 62353675
N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236940
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-prop-2-enylpropanamide
CID 113220333
N-(3-phenylbutyl)benzamide
CID 62403316
4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904
2,3-dimethoxy-N,N'-bis(1-phenylethyl)butanediamide;2,3-dimethoxy-N,N'-bis(prop-2-enyl)butanediamide
CID 90979359
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide (CID 62404774) is 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCCC(C)c1ccccc1.
What is the InChIKey of 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide?
The InChIKey is YCNTZIJNEGMICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-11-18-16(19)14(3)17-12-10-13(2)15-8-6-5-7-9-15/h4-9,13-14,17H,1,10-12H2,2-3H3,(H,18,19).
What are the key properties of 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide?
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylbutylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 62404774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).