ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate

C13H24N2O4 — CID 71507095

IUPACethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C1(C)CCCCC1
InChIInChI=1S/C13H24N2O4/c1-4-18-11(16)14-15(12(17)19-5-2)13(3)9-7-6-8-10-13/h4-10H2,1-3H3,(H,14,16)
InChIKeySUZVGJKYGUORLU-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.83
Rot. Bonds3

About ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate

ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate (PubChem CID 71507095) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate
PubChem CID71507095
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate
SMILESCCOC(=O)NN(C(=O)OCC)C1(C)CCCCC1
InChIInChI=1S/C13H24N2O4/c1-4-18-11(16)14-15(12(17)19-5-2)13(3)9-7-6-8-10-13/h4-10H2,1-3H3,(H,14,16)
InChIKeySUZVGJKYGUORLU-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 135056008
ethyl N-(3-amino-3-oxopropanoyl)-N-ethoxycarbonylcarbamate
CID 151456777
pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722454
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
ethyl N-[1-(3-chloro-2-oxopropyl)cyclohexyl]carbamate
CID 104701425
ethyl N-(ethoxycarbonylamino)-N-(2-oxopropanoyl)carbamate
CID 87865362
ethyl 2,2-bis[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-oxobutanoate
CID 101466213
ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
CID 104701385
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl N,N-diaminocarbamate
CID 54365685

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate (CID 71507095) is ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate is CCOC(=O)NN(C(=O)OCC)C1(C)CCCCC1.
What is the InChIKey of ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate?
The InChIKey is SUZVGJKYGUORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-18-11(16)14-15(12(17)19-5-2)13(3)9-7-6-8-10-13/h4-10H2,1-3H3,(H,14,16).
What are the key properties of ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate?
ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate has a molecular weight of 272.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylamino)-N-(1-methylcyclohexyl)carbamate is sourced from PubChem (CID 71507095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).