N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide

C17H24N2O3 — CID 39930096

IUPACN-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1ccccc1CCNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C17H24N2O3/c1-22-15-6-3-2-5-13(15)10-12-18-16(20)7-4-11-19-17(21)14-8-9-14/h2-3,5-6,14H,4,7-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyOZMYTWJYJXDGJH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.66
Rot. Bonds9

About N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 39930096) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID39930096
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
SMILESCOc1ccccc1CCNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C17H24N2O3/c1-22-15-6-3-2-5-13(15)10-12-18-16(20)7-4-11-19-17(21)14-8-9-14/h2-3,5-6,14H,4,7-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyOZMYTWJYJXDGJH-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438041
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974466
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N-[2-(2-methoxyphenyl)ethyl]-5-methylpiperidine-3-carboxamide
CID 106261488
(3R,6S)-6-(dimethylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylazepane-3-carboxamide
CID 165427863
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
N-[2-(2-methoxyphenyl)ethyl]-1-(6-methoxypyridazin-3-yl)piperidine-4-carboxamide
CID 71701662

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide (CID 39930096) is N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide is COc1ccccc1CCNC(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is OZMYTWJYJXDGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-15-6-3-2-5-13(15)10-12-18-16(20)7-4-11-19-17(21)14-8-9-14/h2-3,5-6,14H,4,7-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 39930096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).