2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide

C18H24N2O2 — CID 3677645

IUPAC2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H24N2O2/c1-14(21)19-17(13-15-9-5-4-6-10-15)18(22)20-16-11-7-2-3-8-12-16/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyXEUNWBGFCPIJNU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.00
Rot. Bonds4

About 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide

2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide (PubChem CID 3677645) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
PubChem CID3677645
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C18H24N2O2/c1-14(21)19-17(13-15-9-5-4-6-10-15)18(22)20-16-11-7-2-3-8-12-16/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyXEUNWBGFCPIJNU-UHFFFAOYSA-N
XLogP3.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-acetamido-N-(2-methylcyclohexyl)-3-phenylprop-2-enamide
CID 44508527
N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 7284785
cyclohexylmethyl 2-acetamido-3-phenylprop-2-enoate
CID 7229393
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
N-[(Z)-3-(cyclohexylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6519450
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6519946
N-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2232702
2-acetamido-3-phenyl-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 76857593

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide?
The IUPAC name of 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide (CID 3677645) is 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide?
The canonical SMILES for 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide is CC(=O)NC(=Cc1ccccc1)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide?
The InChIKey is XEUNWBGFCPIJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(21)19-17(13-15-9-5-4-6-10-15)18(22)20-16-11-7-2-3-8-12-16/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide?
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide has a molecular weight of 300.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide is sourced from PubChem (CID 3677645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).