(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide

C16H26N2O — CID 104897348

IUPAC(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-15(2,3)11-16(4,5)18-14(19)13(17)12-9-7-6-8-10-12/h6-10,13H,11,17H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyYELCKSMEHBGRQU-ZDUSSCGKSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds4

About (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide

(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 104897348) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID104897348
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-15(2,3)11-16(4,5)18-14(19)13(17)12-9-7-6-8-10-12/h6-10,13H,11,17H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyYELCKSMEHBGRQU-ZDUSSCGKSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
CID 106096490
(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 104898280
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-phenylacetamide
CID 105058224
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 133244491
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetic acid
CID 82344685
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 104897348) is (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(C)(C)CC(C)(C)NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is YELCKSMEHBGRQU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2,3)11-16(4,5)18-14(19)13(17)12-9-7-6-8-10-12/h6-10,13H,11,17H2,1-5H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide?
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 104897348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).