N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide

C15H22N2O — CID 79280576

IUPACN-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-10-16-12-15(18)17-11-9-13(2)14-7-5-4-6-8-14/h3-8,13,16H,1,9-12H2,2H3,(H,17,18)
InChIKeyDMWKGYFVZGHWAO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.07
Rot. Bonds8

About N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide

N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79280576) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
PubChem CID79280576
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-10-16-12-15(18)17-11-9-13(2)14-7-5-4-6-8-14/h3-8,13,16H,1,9-12H2,2H3,(H,17,18)
InChIKeyDMWKGYFVZGHWAO-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
CID 62404774
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
N-(3-phenylbutyl)benzamide
CID 62403316
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
N-(1-phenylethyl)-4-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54820620

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide (CID 79280576) is N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCCC(C)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is DMWKGYFVZGHWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-10-16-12-15(18)17-11-9-13(2)14-7-5-4-6-8-14/h3-8,13,16H,1,9-12H2,2H3,(H,17,18).
What are the key properties of N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide?
N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79280576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).