(E)-N-cycloheptyl-3-phenylprop-2-enamide

C16H21NO — CID 6027758

IUPAC(E)-N-cycloheptyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C16H21NO/c18-16(13-12-14-8-4-3-5-9-14)17-15-10-6-1-2-7-11-15/h3-5,8-9,12-13,15H,1-2,6-7,10-11H2,(H,17,18)/b13-12+
InChIKeyAAXHJPGTJKYYNC-OUKQBFOZSA-N
MW243.35 g/mol
LogP3.54
Rot. Bonds3

About (E)-N-cycloheptyl-3-phenylprop-2-enamide

(E)-N-cycloheptyl-3-phenylprop-2-enamide (PubChem CID 6027758) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (E)-N-cycloheptyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cycloheptyl-3-phenylprop-2-enamide
PubChem CID6027758
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(E)-N-cycloheptyl-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C16H21NO/c18-16(13-12-14-8-4-3-5-9-14)17-15-10-6-1-2-7-11-15/h3-5,8-9,12-13,15H,1-2,6-7,10-11H2,(H,17,18)/b13-12+
InChIKeyAAXHJPGTJKYYNC-OUKQBFOZSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880

Frequently Asked Questions

What is the IUPAC name of (E)-N-cycloheptyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-cycloheptyl-3-phenylprop-2-enamide (CID 6027758) is (E)-N-cycloheptyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-cycloheptyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-cycloheptyl-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC1CCCCCC1.
What is the InChIKey of (E)-N-cycloheptyl-3-phenylprop-2-enamide?
The InChIKey is AAXHJPGTJKYYNC-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(13-12-14-8-4-3-5-9-14)17-15-10-6-1-2-7-11-15/h3-5,8-9,12-13,15H,1-2,6-7,10-11H2,(H,17,18)/b13-12+.
What are the key properties of (E)-N-cycloheptyl-3-phenylprop-2-enamide?
(E)-N-cycloheptyl-3-phenylprop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cycloheptyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6027758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).