N-[3-(hex-5-en-2-ylamino)phenyl]propanamide

C15H22N2O — CID 104583829

IUPACN-[3-(hex-5-en-2-ylamino)phenyl]propanamide
SMILESC=CCCC(C)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C15H22N2O/c1-4-6-8-12(3)16-13-9-7-10-14(11-13)17-15(18)5-2/h4,7,9-12,16H,1,5-6,8H2,2-3H3,(H,17,18)
InChIKeyIQMRFDJSDOEXFH-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.80
Rot. Bonds7

About N-[3-(hex-5-en-2-ylamino)phenyl]propanamide

N-[3-(hex-5-en-2-ylamino)phenyl]propanamide (PubChem CID 104583829) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[3-(hex-5-en-2-ylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(hex-5-en-2-ylamino)phenyl]propanamide
PubChem CID104583829
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[3-(hex-5-en-2-ylamino)phenyl]propanamide
SMILESC=CCCC(C)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C15H22N2O/c1-4-6-8-12(3)16-13-9-7-10-14(11-13)17-15(18)5-2/h4,7,9-12,16H,1,5-6,8H2,2-3H3,(H,17,18)
InChIKeyIQMRFDJSDOEXFH-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.80
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-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
CID 104583783
N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide
CID 47078342
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
N-[3-(1-cyanoethylamino)phenyl]propanamide
CID 70638220
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537205
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742

Frequently Asked Questions

What is the IUPAC name of N-[3-(hex-5-en-2-ylamino)phenyl]propanamide?
The IUPAC name of N-[3-(hex-5-en-2-ylamino)phenyl]propanamide (CID 104583829) is N-[3-(hex-5-en-2-ylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(hex-5-en-2-ylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(hex-5-en-2-ylamino)phenyl]propanamide is C=CCCC(C)Nc1cccc(NC(=O)CC)c1.
What is the InChIKey of N-[3-(hex-5-en-2-ylamino)phenyl]propanamide?
The InChIKey is IQMRFDJSDOEXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-6-8-12(3)16-13-9-7-10-14(11-13)17-15(18)5-2/h4,7,9-12,16H,1,5-6,8H2,2-3H3,(H,17,18).
What are the key properties of N-[3-(hex-5-en-2-ylamino)phenyl]propanamide?
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide has a molecular weight of 246.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hex-5-en-2-ylamino)phenyl]propanamide is sourced from PubChem (CID 104583829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).