2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide

C22H34N2O2 — CID 139483101

IUPAC2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1CC(=O)C(Cc1ccccc1)NC(=O)CN
InChIInChI=1S/C22H34N2O2/c1-15(2)19-10-9-16(3)11-18(19)13-21(25)20(24-22(26)14-23)12-17-7-5-4-6-8-17/h4-8,15-16,18-20H,9-14,23H2,1-3H3,(H,24,26)/t16-,18+,19+,20?/m1/s1
InChIKeyHKYAYBIZPXUBPO-VYLRAECFSA-N
MW358.53 g/mol
LogP3.34
Rot. Bonds8

About 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide

2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 139483101) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID139483101
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1CC(=O)C(Cc1ccccc1)NC(=O)CN
InChIInChI=1S/C22H34N2O2/c1-15(2)19-10-9-16(3)11-18(19)13-21(25)20(24-22(26)14-23)12-17-7-5-4-6-8-17/h4-8,15-16,18-20H,9-14,23H2,1-3H3,(H,24,26)/t16-,18+,19+,20?/m1/s1
InChIKeyHKYAYBIZPXUBPO-VYLRAECFSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

6-amino-3-benzyl-1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]hexane-2,5-dione
CID 162144649
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-benzamido-3-phenylpropanoate
CID 101139748
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
2-methyl-N-[(2S)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]prop-2-enamide
CID 22849622
N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67616558
(3-methylcyclohexyl) 2-(methylamino)-3-phenylpropanoate
CID 145335677
[(2R)-2-[(2-aminoacetyl)amino]-2-phenylethyl] (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 129275677
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-phenylpropanoic acid
CID 6992494
N-[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-2-aminoacetamide
CID 131712285
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 18490127

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide (CID 139483101) is 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CC(=O)C(Cc1ccccc1)NC(=O)CN.
What is the InChIKey of 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is HKYAYBIZPXUBPO-VYLRAECFSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15(2)19-10-9-16(3)11-18(19)13-21(25)20(24-22(26)14-23)12-17-7-5-4-6-8-17/h4-8,15-16,18-20H,9-14,23H2,1-3H3,(H,24,26)/t16-,18+,19+,20?/m1/s1.
What are the key properties of 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide?
2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 358.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 139483101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).