benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate

C21H32N2O4 — CID 74341660

IUPACbenzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
SMILESCCCCC(CO)NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C21H32N2O4/c1-2-3-12-18(15-24)22-19(25)21(13-8-5-9-14-21)23-20(26)27-16-17-10-6-4-7-11-17/h4,6-7,10-11,18,24H,2-3,5,8-9,12-16H2,1H3,(H,22,25)(H,23,26)
InChIKeyJZKAVZKGBQTADK-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.28
Rot. Bonds9

About benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate

benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate (PubChem CID 74341660) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
PubChem CID74341660
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Namebenzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
SMILESCCCCC(CO)NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C21H32N2O4/c1-2-3-12-18(15-24)22-19(25)21(13-8-5-9-14-21)23-20(26)27-16-17-10-6-4-7-11-17/h4,6-7,10-11,18,24H,2-3,5,8-9,12-16H2,1H3,(H,22,25)(H,23,26)
InChIKeyJZKAVZKGBQTADK-UHFFFAOYSA-N
XLogP3.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
(2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 24740123
benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
CID 74341663
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 143504553
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
benzyl N-[(2S,3S)-1,3-dihydroxytridecan-2-yl]carbamate
CID 140979955
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
CID 151722138
ethyl 3-oxo-3-[1-(phenylmethoxycarbonylamino)cyclopropyl]propanoate
CID 134181852
benzyl N-(1-piperidin-1-ylheptan-4-yl)carbamate
CID 70111942

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate (CID 74341660) is benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate is CCCCC(CO)NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1.
What is the InChIKey of benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate?
The InChIKey is JZKAVZKGBQTADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-2-3-12-18(15-24)22-19(25)21(13-8-5-9-14-21)23-20(26)27-16-17-10-6-4-7-11-17/h4,6-7,10-11,18,24H,2-3,5,8-9,12-16H2,1H3,(H,22,25)(H,23,26).
What are the key properties of benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate?
benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate has a molecular weight of 376.50 g/mol, XLogP of 3.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate is sourced from PubChem (CID 74341660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).