N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide

C14H18N2O — CID 166970997

IUPACN-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide
SMILESC=C/C=C(\N)C(C)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O/c1-4-5-14(15)10(2)12-6-8-13(9-7-12)16-11(3)17/h4-10H,1,15H2,2-3H3,(H,16,17)/b14-5-
InChIKeyGYEZUYJTEHJKJS-RZNTYIFUSA-N
MW230.31 g/mol
LogP2.78
Rot. Bonds4

About N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide

N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide (PubChem CID 166970997) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide
PubChem CID166970997
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide
SMILESC=C/C=C(\N)C(C)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O/c1-4-5-14(15)10(2)12-6-8-13(9-7-12)16-11(3)17/h4-10H,1,15H2,2-3H3,(H,16,17)/b14-5-
InChIKeyGYEZUYJTEHJKJS-RZNTYIFUSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(1S)-1-aminoprop-2-enyl]phenyl]acetamide
CID 131124936
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093
2-[4-(carbamothioylamino)phenyl]propanoic acid
CID 87347956
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide (CID 166970997) is N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide is C=C/C=C(\N)C(C)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide?
The InChIKey is GYEZUYJTEHJKJS-RZNTYIFUSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-5-14(15)10(2)12-6-8-13(9-7-12)16-11(3)17/h4-10H,1,15H2,2-3H3,(H,16,17)/b14-5-.
What are the key properties of N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide?
N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3Z)-3-aminohexa-3,5-dien-2-yl]phenyl]acetamide is sourced from PubChem (CID 166970997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).