(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide

C17H28N2O — CID 101070351

IUPAC(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide
SMILESCC(C)[C@H](N[C@H](C)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)15(16(20)19-17(4,5)6)18-13(3)14-10-8-7-9-11-14/h7-13,15,18H,1-6H3,(H,19,20)/t13-,15+/m1/s1
InChIKeyNDITUHWMKNLEOQ-HIFRSBDPSA-N
MW276.42 g/mol
LogP3.28
Rot. Bonds5

About (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide

(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide (PubChem CID 101070351) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide
PubChem CID101070351
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide
SMILESCC(C)[C@H](N[C@H](C)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H28N2O/c1-12(2)15(16(20)19-17(4,5)6)18-13(3)14-10-8-7-9-11-14/h7-13,15,18H,1-6H3,(H,19,20)/t13-,15+/m1/s1
InChIKeyNDITUHWMKNLEOQ-HIFRSBDPSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-3-methyl-2-(1-phenylethylamino)butanoate
CID 43386362
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
(2R)-2-(iodoamino)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 88940035
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide?
The IUPAC name of (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide (CID 101070351) is (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide.
What is the SMILES notation for (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide?
The canonical SMILES for (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide is CC(C)[C@H](N[C@H](C)c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide?
The InChIKey is NDITUHWMKNLEOQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)15(16(20)19-17(4,5)6)18-13(3)14-10-8-7-9-11-14/h7-13,15,18H,1-6H3,(H,19,20)/t13-,15+/m1/s1.
What are the key properties of (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide?
(2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide has a molecular weight of 276.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-3-methyl-2-[[(1R)-1-phenylethyl]amino]butanamide is sourced from PubChem (CID 101070351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).