4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide

C14H18N2O — CID 144755703

IUPAC4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide
SMILESC/C(=C\N)c1ccc(C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-7-11(10(2)8-15)3-6-13(9)14(17)16-12-4-5-12/h3,6-8,12H,4-5,15H2,1-2H3,(H,16,17)/b10-8+
InChIKeyGJCHHRQPPFMSNE-CSKARUKUSA-N
MW230.31 g/mol
LogP2.21
Rot. Bonds3

About 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide

4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 144755703) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID144755703
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide
SMILESC/C(=C\N)c1ccc(C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-7-11(10(2)8-15)3-6-13(9)14(17)16-12-4-5-12/h3,6-8,12H,4-5,15H2,1-2H3,(H,16,17)/b10-8+
InChIKeyGJCHHRQPPFMSNE-CSKARUKUSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 103865467
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N-cycloheptyl-4-hydrazinyl-2-methylbenzamide
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N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-cyclopropyl-2-methyl-4-(5-methylocta-3,7-dien-3-yl)benzamide
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[4-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CID 129359426
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide (CID 144755703) is 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide is C/C(=C\N)c1ccc(C(=O)NC2CC2)c(C)c1.
What is the InChIKey of 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is GJCHHRQPPFMSNE-CSKARUKUSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-7-11(10(2)8-15)3-6-13(9)14(17)16-12-4-5-12/h3,6-8,12H,4-5,15H2,1-2H3,(H,16,17)/b10-8+.
What are the key properties of 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide?
4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 230.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-aminoprop-1-en-2-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 144755703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).