1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide

C16H23ClN2O — CID 119768490

IUPAC1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
SMILESCCC(CC)(CNC(=O)C1(N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-3-15(4-2,12-5-7-13(17)8-6-12)11-19-14(20)16(18)9-10-16/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20)
InChIKeyBIBWETZIEIFNLT-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.01
Rot. Bonds6

About 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide

1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide (PubChem CID 119768490) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
PubChem CID119768490
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide
SMILESCCC(CC)(CNC(=O)C1(N)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-3-15(4-2,12-5-7-13(17)8-6-12)11-19-14(20)16(18)9-10-16/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20)
InChIKeyBIBWETZIEIFNLT-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(2-ethyl-2-phenylbutyl)cyclopentane-1-carboxamide
CID 119337633
4-acetamido-N-[2-(4-chlorophenyl)-2-ethylbutyl]benzamide
CID 60621325
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(2-hydroxyphenyl)propanamide
CID 60621631
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
CID 60621598
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
1-[2-(4-chlorophenyl)-2-ethylbutyl]-2,3-dimethylguanidine;hydroiodide
CID 110928094
N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide
CID 119768492
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)cyclopropane-1-carboxamide
CID 65112164
N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(methoxymethyl)benzamide
CID 60621749
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-methylsulfonylbenzamide
CID 60621661

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide (CID 119768490) is 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide is CCC(CC)(CNC(=O)C1(N)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide?
The InChIKey is BIBWETZIEIFNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-15(4-2,12-5-7-13(17)8-6-12)11-19-14(20)16(18)9-10-16/h5-8H,3-4,9-11,18H2,1-2H3,(H,19,20).
What are the key properties of 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-chlorophenyl)-2-ethylbutyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119768490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).