2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate

C21H32N2O4 — CID 143504553

IUPAC2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCCc2ccccc2)CCCCC1
InChIInChI=1S/C21H32N2O4/c1-16(2)18(15-24)22-19(25)21(12-7-4-8-13-21)23-20(26)27-14-11-17-9-5-3-6-10-17/h3,5-6,9-10,16,18,24H,4,7-8,11-15H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyOQSXDVHDSKYPFO-GOSISDBHSA-N
MW376.50 g/mol
LogP2.79
Rot. Bonds8

About 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate

2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate (PubChem CID 143504553) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
PubChem CID143504553
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCCc2ccccc2)CCCCC1
InChIInChI=1S/C21H32N2O4/c1-16(2)18(15-24)22-19(25)21(12-7-4-8-13-21)23-20(26)27-14-11-17-9-5-3-6-10-17/h3,5-6,9-10,16,18,24H,4,7-8,11-15H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyOQSXDVHDSKYPFO-GOSISDBHSA-N
XLogP2.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate with MolForge

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Related Compounds

(2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 24740123
methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
CID 74341663
furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 161101792
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 71027951
benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
CID 74341660
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide;N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide
CID 160875585
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293
1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 115438007

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The IUPAC name of 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate (CID 143504553) is 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate is CC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCCc2ccccc2)CCCCC1.
What is the InChIKey of 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The InChIKey is OQSXDVHDSKYPFO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-16(2)18(15-24)22-19(25)21(12-7-4-8-13-21)23-20(26)27-14-11-17-9-5-3-6-10-17/h3,5-6,9-10,16,18,24H,4,7-8,11-15H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate has a molecular weight of 376.50 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 143504553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).