2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide

C15H23N3O2 — CID 104898367

IUPAC2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(13(19)18-15(2,3)4)17-14(20)12(16)11-8-6-5-7-9-11/h5-10,12H,16H2,1-4H3,(H,17,20)(H,18,19)/t10?,12-/m0/s1
InChIKeyNIEXIXWBWPSBHN-KFJBMODSSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds4

About 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide

2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide (PubChem CID 104898367) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
PubChem CID104898367
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
SMILESCC(NC(=O)[C@@H](N)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-10(13(19)18-15(2,3)4)17-14(20)12(16)11-8-6-5-7-9-11/h5-10,12H,16H2,1-4H3,(H,17,20)(H,18,19)/t10?,12-/m0/s1
InChIKeyNIEXIXWBWPSBHN-KFJBMODSSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 115748700
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
2-amino-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119269403
2-[(2-amino-2-phenylacetyl)amino]-3,3-dimethylbutanoic acid
CID 61159659
(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
CID 104898348
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
N-tert-butyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115574031
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
3-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbutanoic acid
CID 104898381
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide (CID 104898367) is 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide is CC(NC(=O)[C@@H](N)c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
The InChIKey is NIEXIXWBWPSBHN-KFJBMODSSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(13(19)18-15(2,3)4)17-14(20)12(16)11-8-6-5-7-9-11/h5-10,12H,16H2,1-4H3,(H,17,20)(H,18,19)/t10?,12-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 104898367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).