(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide

C23H30N2O2 — CID 126008908

IUPAC(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
SMILESCC[C@H](C)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C23H30N2O2/c1-5-17(4)24-23(27)21(16(2)3)25-22(26)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,20-21H,5H2,1-4H3,(H,24,27)(H,25,26)/t17-,21-/m0/s1
InChIKeyNAQUEPRSZRMKAL-UWJYYQICSA-N
MW366.50 g/mol
LogP3.87
Rot. Bonds8

About (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide

(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide (PubChem CID 126008908) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
PubChem CID126008908
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
SMILESCC[C@H](C)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C23H30N2O2/c1-5-17(4)24-23(27)21(16(2)3)25-22(26)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,20-21H,5H2,1-4H3,(H,24,27)(H,25,26)/t17-,21-/m0/s1
InChIKeyNAQUEPRSZRMKAL-UWJYYQICSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 96564952
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide
CID 40592995
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
5-[[2-[(2,2-diphenylacetyl)amino]-3-methylbutanoyl]amino]-4-hydroxy-6-phenylhexanoic acid
CID 175059949
(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 1036687
N-[(2S)-1-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 99845714
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
The IUPAC name of (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide (CID 126008908) is (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide is CC[C@H](C)NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
The InChIKey is NAQUEPRSZRMKAL-UWJYYQICSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-17(4)24-23(27)21(16(2)3)25-22(26)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,20-21H,5H2,1-4H3,(H,24,27)(H,25,26)/t17-,21-/m0/s1.
What are the key properties of (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide?
(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide has a molecular weight of 366.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 126008908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).