[1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid

C19H28N2O5 — CID 69262115

IUPAC[1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(C1CCC(O)CC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-13(20-18(23)24)17(15-8-10-16(22)11-9-15)21(2)19(25)26-12-14-6-4-3-5-7-14/h3-7,13,15-17,20,22H,8-12H2,1-2H3,(H,23,24)
InChIKeyXJXAFDKPAYHCCH-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.83
Rot. Bonds6

About [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid

[1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid (PubChem CID 69262115) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid
PubChem CID69262115
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name[1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(C1CCC(O)CC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-13(20-18(23)24)17(15-8-10-16(22)11-9-15)21(2)19(25)26-12-14-6-4-3-5-7-14/h3-7,13,15-17,20,22H,8-12H2,1-2H3,(H,23,24)
InChIKeyXJXAFDKPAYHCCH-UHFFFAOYSA-N
XLogP2.83
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
CID 167560867
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
CID 163373377
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid?
The IUPAC name of [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid (CID 69262115) is [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid.
What is the SMILES notation for [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid?
The canonical SMILES for [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid is CC(NC(=O)O)C(C1CCC(O)CC1)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid?
The InChIKey is XJXAFDKPAYHCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13(20-18(23)24)17(15-8-10-16(22)11-9-15)21(2)19(25)26-12-14-6-4-3-5-7-14/h3-7,13,15-17,20,22H,8-12H2,1-2H3,(H,23,24).
What are the key properties of [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid?
[1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid has a molecular weight of 364.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxycyclohexyl)-1-[methyl(phenylmethoxycarbonyl)amino]propan-2-yl]carbamic acid is sourced from PubChem (CID 69262115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).