4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide

C14H21ClN2O — CID 112517449

IUPAC4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)C(CCN)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-17(4-2)14(18)12(9-10-16)11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10,16H2,1-2H3
InChIKeyLLSDFHLRPUJHDT-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.64
Rot. Bonds6

About 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide

4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide (PubChem CID 112517449) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide
PubChem CID112517449
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)C(CCN)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-3-17(4-2)14(18)12(9-10-16)11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10,16H2,1-2H3
InChIKeyLLSDFHLRPUJHDT-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N,N-diethyl-2-(furan-2-yl)butanamide
CID 112515361
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
2-(2-chlorophenyl)butanoate
CID 22456439
ethyl 2-(2-chlorophenyl)hexanoate
CID 142202893
carbamic acid;3-(2-chlorophenyl)hexan-2-one
CID 145375044
3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
CID 115583154
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
(2S)-2-[[4-amino-2-(2-chlorophenyl)butanoyl]amino]-N-[(2S)-1-amino-3-oxopentan-2-yl]-3-hydroxybutanamide
CID 134219603
(2S)-2-[[4-amino-2-(2-chlorophenyl)butanoyl]amino]-N-[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]-3-hydroxybutanamide
CID 134219531
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide?
The IUPAC name of 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide (CID 112517449) is 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide.
What is the SMILES notation for 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide?
The canonical SMILES for 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide is CCN(CC)C(=O)C(CCN)c1ccccc1Cl.
What is the InChIKey of 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide?
The InChIKey is LLSDFHLRPUJHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-17(4-2)14(18)12(9-10-16)11-7-5-6-8-13(11)15/h5-8,12H,3-4,9-10,16H2,1-2H3.
What are the key properties of 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide?
4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide has a molecular weight of 268.79 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-chlorophenyl)-N,N-diethylbutanamide is sourced from PubChem (CID 112517449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).