N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide

C14H20N2O2 — CID 82259679

IUPACN-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
SMILESCCOc1cc(CCN)ccc1NC(=O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-9-10(7-8-15)3-6-12(13)16-14(17)11-4-5-11/h3,6,9,11H,2,4-5,7-8,15H2,1H3,(H,16,17)
InChIKeyIIWYOOQZCCLLLJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds6

About N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide

N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide (PubChem CID 82259679) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
PubChem CID82259679
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
SMILESCCOc1cc(CCN)ccc1NC(=O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-13-9-10(7-8-15)3-6-12(13)16-14(17)11-4-5-11/h3,6,9,11H,2,4-5,7-8,15H2,1H3,(H,16,17)
InChIKeyIIWYOOQZCCLLLJ-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-bromoethyl)-2-ethoxyphenyl]-4-butylcyclohexane-1-carboxamide
CID 82259227
N-[4-(2-bromobutyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259351
N-[4-(2-bromoacetyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82258653
N-[4-(2-bromoethyl)-2-ethoxyphenyl]propanamide
CID 82259220
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
N-[4-(butanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 1428132
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(5-acetyl-2-ethoxyphenyl)cyclopropanecarboxamide
CID 82156326
N-[4-(3-chloropropanoylamino)-2,5-diethoxyphenyl]cyclopropanecarboxamide
CID 3173030
CID 70594097
CID 70594097
5-[3-ethoxy-4-(oxolane-2-carbonylamino)phenyl]pentanoic acid
CID 82260210
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide (CID 82259679) is N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide is CCOc1cc(CCN)ccc1NC(=O)C1CC1.
What is the InChIKey of N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
The InChIKey is IIWYOOQZCCLLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-13-9-10(7-8-15)3-6-12(13)16-14(17)11-4-5-11/h3,6,9,11H,2,4-5,7-8,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide?
N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82259679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).