methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate

C12H22N2O3 — CID 47303429

IUPACmethyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H22N2O3/c1-8-5-4-6-10(9(8)2)14-11(15)7-13-12(16)17-3/h8-10H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySEZCGFAIABEBKT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.28
Rot. Bonds3

About methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate

methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate (PubChem CID 47303429) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
PubChem CID47303429
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H22N2O3/c1-8-5-4-6-10(9(8)2)14-11(15)7-13-12(16)17-3/h8-10H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySEZCGFAIABEBKT-UHFFFAOYSA-N
XLogP1.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-4-oxobutanoyl]amino]acetate
CID 7299825
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
N-[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 40882905
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 11896927
N-(2,3-dimethylcyclohexyl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]acetamide
CID 111860060
N-(2,3-dimethylcyclohexyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 75501744
4-(difluoromethoxy)-N-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]benzamide
CID 11919811
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
tert-butyl 4-[(2,3-dimethylcyclohexyl)amino]-4-oxobutanoate
CID 106706973
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463
2-azido-N-(2,3-dimethylcyclohexyl)acetamide
CID 61374962

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate (CID 47303429) is methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate?
The InChIKey is SEZCGFAIABEBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-5-4-6-10(9(8)2)14-11(15)7-13-12(16)17-3/h8-10H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate?
methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47303429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).