(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide

C15H23ClN2O — CID 103929207

IUPAC(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-18(14(19)13(17)15(2,3)4)10-11-8-6-7-9-12(11)16/h6-9,13H,5,10,17H2,1-4H3/t13-/m0/s1
InChIKeyFDNPNCHOWFLFQU-ZDUSSCGKSA-N
MW282.81 g/mol
LogP3.06
Rot. Bonds4

About (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide

(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide (PubChem CID 103929207) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
PubChem CID103929207
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H23ClN2O/c1-5-18(14(19)13(17)15(2,3)4)10-11-8-6-7-9-12(11)16/h6-9,13H,5,10,17H2,1-4H3/t13-/m0/s1
InChIKeyFDNPNCHOWFLFQU-ZDUSSCGKSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 61163680
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451
(2S)-2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 61162884
2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 77144498
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide (CID 103929207) is (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide is CCN(Cc1ccccc1Cl)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide?
The InChIKey is FDNPNCHOWFLFQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-5-18(14(19)13(17)15(2,3)4)10-11-8-6-7-9-12(11)16/h6-9,13H,5,10,17H2,1-4H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide?
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 103929207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).