N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide

C14H16N4O — CID 106554496

IUPACN-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide
SMILESC=CCn1ccnc1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H16N4O/c1-3-9-18-10-8-15-14(18)17-13-6-4-12(5-7-13)16-11(2)19/h3-8,10H,1,9H2,2H3,(H,15,17)(H,16,19)
InChIKeyJNNARFRSMDDDPB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide

N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide (PubChem CID 106554496) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide
PubChem CID106554496
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide
SMILESC=CCn1ccnc1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H16N4O/c1-3-9-18-10-8-15-14(18)17-13-6-4-12(5-7-13)16-11(2)19/h3-8,10H,1,9H2,2H3,(H,15,17)(H,16,19)
InChIKeyJNNARFRSMDDDPB-UHFFFAOYSA-N
XLogP2.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554163
N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
CID 107605118
N-(3-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554216
1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570738
N-(3-methylsulfinylpropyl)-1-prop-2-enylimidazol-2-amine
CID 106580517
1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine
CID 106583191
N-(4-bromo-2,3-dichlorophenyl)-1-prop-2-enylimidazol-2-amine
CID 114002343
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562002
N-[4-(pyrimidin-2-ylamino)phenyl]acetamide
CID 123760459
1-prop-2-enylimidazole-2-carboxamide
CID 70066654

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide (CID 106554496) is N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide is C=CCn1ccnc1Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide?
The InChIKey is JNNARFRSMDDDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-9-18-10-8-15-14(18)17-13-6-4-12(5-7-13)16-11(2)19/h3-8,10H,1,9H2,2H3,(H,15,17)(H,16,19).
What are the key properties of N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide?
N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 106554496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).