2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide

C15H23ClN2O — CID 77144451

IUPAC2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(2)14(17)15(19)18(11(3)4)9-12-7-5-6-8-13(12)16/h5-8,10-11,14H,9,17H2,1-4H3
InChIKeyMPFFBCCZOFTTQO-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.06
Rot. Bonds5

About 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide

2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide (PubChem CID 77144451) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
PubChem CID77144451
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)C(N)C(=O)N(Cc1ccccc1Cl)C(C)C
InChIInChI=1S/C15H23ClN2O/c1-10(2)14(17)15(19)18(11(3)4)9-12-7-5-6-8-13(12)16/h5-8,10-11,14H,9,17H2,1-4H3
InChIKeyMPFFBCCZOFTTQO-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144410
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66568347
(2S)-2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 66568262
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
CID 66568264
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide (CID 77144451) is 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide is CC(C)C(N)C(=O)N(Cc1ccccc1Cl)C(C)C.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is MPFFBCCZOFTTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(2)14(17)15(19)18(11(3)4)9-12-7-5-6-8-13(12)16/h5-8,10-11,14H,9,17H2,1-4H3.
What are the key properties of 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide?
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 282.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 77144451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).