(E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

C16H21NO — CID 1224012

IUPAC(E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NC2CC2)cc1
InChIInChI=1S/C16H21NO/c1-12(2)11-14-5-3-13(4-6-14)7-10-16(18)17-15-8-9-15/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,17,18)/b10-7+
InChIKeyCDRWKOGHWJOOCM-JXMROGBWSA-N
MW243.35 g/mol
LogP3.18
Rot. Bonds5

About (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide

(E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (PubChem CID 1224012) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
PubChem CID1224012
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
SMILESCC(C)Cc1ccc(/C=C/C(=O)NC2CC2)cc1
InChIInChI=1S/C16H21NO/c1-12(2)11-14-5-3-13(4-6-14)7-10-16(18)17-15-8-9-15/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,17,18)/b10-7+
InChIKeyCDRWKOGHWJOOCM-JXMROGBWSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.18
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

Brn 2646116
CID 5281870
Cinflumide
CID 6434871
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CID 541808
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CID 2931988
3-(4-tert-butylphenyl)-2-cyano-N-cyclopropylacrylamide
CID 5790752
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
Cinnamamide, N-allyl-, (E)-
CID 5371820
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
3-methyl-N-(2-phenylethyl)-2-butenamide
CID 731815
N-(3,3-Diphenylprop-2-en-1-yl)acetamide
CID 16094582
N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide
CID 122649219
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide (CID 1224012) is (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is CC(C)Cc1ccc(/C=C/C(=O)NC2CC2)cc1.
What is the InChIKey of (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
The InChIKey is CDRWKOGHWJOOCM-JXMROGBWSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(2)11-14-5-3-13(4-6-14)7-10-16(18)17-15-8-9-15/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,17,18)/b10-7+.
What are the key properties of (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide?
(E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide is sourced from PubChem (CID 1224012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).