[1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate

C29H48N2O5 — CID 70512743

IUPAC[1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate
SMILESCC(NC(=O)OCC1(CC(=O)CC2(COC(=O)NC(C)C3CC3)CCCCC2)CCCCC1)C1CC1
InChIInChI=1S/C29H48N2O5/c1-21(23-9-10-23)30-26(33)35-19-28(13-5-3-6-14-28)17-25(32)18-29(15-7-4-8-16-29)20-36-27(34)31-22(2)24-11-12-24/h21-24H,3-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyHCNGYLFLGRECDK-UHFFFAOYSA-N
MW504.71 g/mol
LogP6.29
Rot. Bonds12

About [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate

[1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate (PubChem CID 70512743) has the molecular formula C29H48N2O5 and a molecular weight of 504.71 g/mol. Its IUPAC name is [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate.

Molecular Properties

Compound Name[1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate
PubChem CID70512743
Molecular FormulaC29H48N2O5
Molecular Weight504.71 g/mol
Exact Mass504.36
IUPAC Name[1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate
SMILESCC(NC(=O)OCC1(CC(=O)CC2(COC(=O)NC(C)C3CC3)CCCCC2)CCCCC1)C1CC1
InChIInChI=1S/C29H48N2O5/c1-21(23-9-10-23)30-26(33)35-19-28(13-5-3-6-14-28)17-25(32)18-29(15-7-4-8-16-29)20-36-27(34)31-22(2)24-11-12-24/h21-24H,3-20H2,1-2H3,(H,30,33)(H,31,34)
InChIKeyHCNGYLFLGRECDK-UHFFFAOYSA-N
XLogP6.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.71
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate with MolForge

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Related Compounds

N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
2-(1-aminocyclohexyl)-N-(1-cyclopentylethyl)acetamide
CID 64679071
2-(1-aminocyclohexyl)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389349
2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
CID 81392829
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 109499933
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002

Frequently Asked Questions

What is the IUPAC name of [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate?
The IUPAC name of [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate (CID 70512743) is [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate.
What is the SMILES notation for [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate?
The canonical SMILES for [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate is CC(NC(=O)OCC1(CC(=O)CC2(COC(=O)NC(C)C3CC3)CCCCC2)CCCCC1)C1CC1.
What is the InChIKey of [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate?
The InChIKey is HCNGYLFLGRECDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N2O5/c1-21(23-9-10-23)30-26(33)35-19-28(13-5-3-6-14-28)17-25(32)18-29(15-7-4-8-16-29)20-36-27(34)31-22(2)24-11-12-24/h21-24H,3-20H2,1-2H3,(H,30,33)(H,31,34).
What are the key properties of [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate?
[1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate has a molecular weight of 504.71 g/mol, XLogP of 6.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate is sourced from PubChem (CID 70512743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).