N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide

C17H24ClNO2 — CID 78884246

IUPACN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
SMILESCCOCCCC(=O)N(C1CC1)C(C)c1ccccc1Cl
InChIInChI=1S/C17H24ClNO2/c1-3-21-12-6-9-17(20)19(14-10-11-14)13(2)15-7-4-5-8-16(15)18/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3
InChIKeySAXUIKNVSMXHCZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.21
Rot. Bonds8

About N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide

N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide (PubChem CID 78884246) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
PubChem CID78884246
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide
SMILESCCOCCCC(=O)N(C1CC1)C(C)c1ccccc1Cl
InChIInChI=1S/C17H24ClNO2/c1-3-21-12-6-9-17(20)19(14-10-11-14)13(2)15-7-4-5-8-16(15)18/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3
InChIKeySAXUIKNVSMXHCZ-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-pyrrolidin-2-ylacetamide
CID 119715165
N-[3-[1-(2-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
CID 86926361
ethyl 3-[1-(2-chlorophenyl)ethyl-cyclopropylcarbamoyl]piperidine-1-carboxylate
CID 78852776
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936465
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropylcyclopentane-1-carboxamide;hydrochloride
CID 119715144
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyloxolane-2-carboxamide
CID 120786660
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide
CID 78852755
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
N-benzyl-2-[1-(2-chlorophenyl)ethylamino]-N-cyclopropylacetamide
CID 78896142
4-amino-N-cyclopropyl-N-(1-naphthalen-2-ylethyl)butanamide;hydrochloride
CID 119303600

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide (CID 78884246) is N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide is CCOCCCC(=O)N(C1CC1)C(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide?
The InChIKey is SAXUIKNVSMXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-21-12-6-9-17(20)19(14-10-11-14)13(2)15-7-4-5-8-16(15)18/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide?
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide has a molecular weight of 309.84 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-ethoxybutanamide is sourced from PubChem (CID 78884246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).