(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide

C15H24N2O — CID 22690747

IUPAC(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)14(16)15(18)17(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10,16H2,1-4H3/t14-/m0/s1
InChIKeyGHJHDJUVONKQQZ-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide

(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide (PubChem CID 22690747) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
PubChem CID22690747
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)14(16)15(18)17(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10,16H2,1-4H3/t14-/m0/s1
InChIKeyGHJHDJUVONKQQZ-AWEZNQCLSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propan-2-ylbutanamide
CID 66568264
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
2-amino-N-[(2-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144451
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
CID 62474789
5-amino-N-benzyl-2-methyl-N-propan-2-ylpentanamide
CID 104683482
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 77144410
(2S)-2-amino-N-[(2-cyanophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 66568262
2-acetamido-N-benzyl-N-propan-2-yl-3-sulfanylpropanamide
CID 107768981
methyl 2-[[(2S)-2-amino-3-methylbutanoyl]-benzylamino]acetate
CID 61163965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide (CID 22690747) is (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide is CC(C)[C@H](N)C(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is GHJHDJUVONKQQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14(16)15(18)17(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10,16H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide?
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 22690747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).