2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide

C18H20N4O — CID 158148399

IUPAC2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide
SMILES[H]/N=C(\N)c1cccc(C=CCNc2ccccc2CC(N)=O)c1
InChIInChI=1S/C18H20N4O/c19-17(23)12-14-7-1-2-9-16(14)22-10-4-6-13-5-3-8-15(11-13)18(20)21/h1-9,11,22H,10,12H2,(H2,19,23)(H3,20,21)
InChIKeyFUUJGRPSXKBCTL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.12
Rot. Bonds7

About 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide

2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide (PubChem CID 158148399) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide
PubChem CID158148399
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide
SMILES[H]/N=C(\N)c1cccc(C=CCNc2ccccc2CC(N)=O)c1
InChIInChI=1S/C18H20N4O/c19-17(23)12-14-7-1-2-9-16(14)22-10-4-6-13-5-3-8-15(11-13)18(20)21/h1-9,11,22H,10,12H2,(H2,19,23)(H3,20,21)
InChIKeyFUUJGRPSXKBCTL-UHFFFAOYSA-N
XLogP2.12
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-carbamimidoylphenyl)but-3-enoic acid
CID 170483511
3-(4-oxobut-1-enyl)benzenecarboximidamide
CID 170481809
3-[(Z)-3-(3-carbamimidoylphenyl)prop-2-enyl]benzenecarboximidamide
CID 70416553
(E)-3-(3-carbamimidoylphenyl)prop-2-enoic acid
CID 119091443
5-[3-(3-carbamimidoylphenyl)prop-2-enylamino]-2-piperidin-4-yloxybenzoic acid
CID 70167650
3-[2-(3-bromophenyl)ethenyl]benzenecarboximidamide
CID 141318088
3-[3-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-fluoroanilino]prop-1-enyl]benzenecarboximidamide
CID 73437150
3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid
CID 154255503
4-(3-acetylphenyl)but-3-enamide
CID 170797804
N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
CID 87951181
3-[3-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]benzenecarboximidamide
CID 73437147
2-[2-(propylamino)phenyl]acetamide
CID 43738591

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide (CID 158148399) is 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide is [H]/N=C(\N)c1cccc(C=CCNc2ccccc2CC(N)=O)c1.
What is the InChIKey of 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide?
The InChIKey is FUUJGRPSXKBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-17(23)12-14-7-1-2-9-16(14)22-10-4-6-13-5-3-8-15(11-13)18(20)21/h1-9,11,22H,10,12H2,(H2,19,23)(H3,20,21).
What are the key properties of 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide?
2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-carbamimidoylphenyl)prop-2-enylamino]phenyl]acetamide is sourced from PubChem (CID 158148399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).