(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide

C17H29N3O — CID 119885709

IUPAC(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)(C)C)N(C)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-13(11-19-16(21)15(18)17(2,3)4)20(5)12-14-9-7-6-8-10-14/h6-10,13,15H,11-12,18H2,1-5H3,(H,19,21)/t13?,15-/m1/s1
InChIKeyXDFOALJKOWVKSC-AWKYBWMHSA-N
MW291.44 g/mol
LogP2.00
Rot. Bonds6

About (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide (PubChem CID 119885709) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
PubChem CID119885709
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide
SMILESCC(CNC(=O)[C@@H](N)C(C)(C)C)N(C)Cc1ccccc1
InChIInChI=1S/C17H29N3O/c1-13(11-19-16(21)15(18)17(2,3)4)20(5)12-14-9-7-6-8-10-14/h6-10,13,15H,11-12,18H2,1-5H3,(H,19,21)/t13?,15-/m1/s1
InChIKeyXDFOALJKOWVKSC-AWKYBWMHSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
(2S)-2-amino-N-[3-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835665
N-[2-[benzyl(methyl)amino]propyl]-2-sulfanylacetamide
CID 131141172
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3,3-dimethylbutanamide
CID 119399219
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
(2S)-2-amino-3,3-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845611
3-(2-aminopropan-2-yl)-N-[2-[benzyl(methyl)amino]propyl]-1,2-oxazole-4-carboxamide
CID 138005373
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
(2R)-2-amino-N-[2-(dimethylamino)propyl]-2-phenylacetamide
CID 61156707

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide (CID 119885709) is (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide is CC(CNC(=O)[C@@H](N)C(C)(C)C)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide?
The InChIKey is XDFOALJKOWVKSC-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(11-19-16(21)15(18)17(2,3)4)20(5)12-14-9-7-6-8-10-14/h6-10,13,15H,11-12,18H2,1-5H3,(H,19,21)/t13?,15-/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide has a molecular weight of 291.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[benzyl(methyl)amino]propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119885709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).