N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide

C15H19N3O — CID 54487133

IUPACN-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide
SMILESC=CCN(CCC#N)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C15H19N3O/c1-3-10-18(11-6-9-16)14-8-5-7-13(12-14)17-15(19)4-2/h3,5,7-8,12H,1,4,6,10-11H2,2H3,(H,17,19)
InChIKeyXTCORSDMCTXIHR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.94
Rot. Bonds7

About N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide

N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide (PubChem CID 54487133) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide
PubChem CID54487133
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide
SMILESC=CCN(CCC#N)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C15H19N3O/c1-3-10-18(11-6-9-16)14-8-5-7-13(12-14)17-15(19)4-2/h3,5,7-8,12H,1,4,6,10-11H2,2H3,(H,17,19)
InChIKeyXTCORSDMCTXIHR-UHFFFAOYSA-N
XLogP2.94
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[ethyl(2-propan-2-yloxyethyl)amino]phenyl]propanamide
CID 71331392
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N-[3-[ethyl(2-hydroxyethyl)amino]phenyl]-2-hydroxyacetamide
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N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
CID 43824011
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-(1-cyanoethylamino)phenyl]propanamide
CID 70638220
N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide
CID 47078342
3-cyano-N-(3-fluorophenyl)propanamide
CID 82111905
N-butyl-N-phenyl-3-(propanoylamino)benzamide
CID 17309767
N-[3-[ethenylsulfonyl(methyl)amino]phenyl]-3-oxobutanamide
CID 88683166
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
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N-(3-acetylphenyl)propanamide
CID 903063

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide?
The IUPAC name of N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide (CID 54487133) is N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide?
The canonical SMILES for N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide is C=CCN(CCC#N)c1cccc(NC(=O)CC)c1.
What is the InChIKey of N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide?
The InChIKey is XTCORSDMCTXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-10-18(11-6-9-16)14-8-5-7-13(12-14)17-15(19)4-2/h3,5,7-8,12H,1,4,6,10-11H2,2H3,(H,17,19).
What are the key properties of N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide?
N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide has a molecular weight of 257.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-cyanoethyl(prop-2-enyl)amino]phenyl]propanamide is sourced from PubChem (CID 54487133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).