ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate

C15H27NO3 — CID 129202003

IUPACethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1(C(C)C)CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-5-19-13(17)10-16-14(18)15(11(2)3)8-6-12(4)7-9-15/h11-12H,5-10H2,1-4H3,(H,16,18)
InChIKeyWGPLCTLKNPAYRH-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

About ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate

ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate (PubChem CID 129202003) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate
PubChem CID129202003
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1(C(C)C)CCC(C)CC1
InChIInChI=1S/C15H27NO3/c1-5-19-13(17)10-16-14(18)15(11(2)3)8-6-12(4)7-9-15/h11-12H,5-10H2,1-4H3,(H,16,18)
InChIKeyWGPLCTLKNPAYRH-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1-carbamothioyl-3-methylcyclobutanecarbonyl)amino]acetate
CID 80590232
N-cyclopropyl-4-methyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 130472552
ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
CID 119706107
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
CID 157113144
N-ethyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 3016622

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate (CID 129202003) is ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate is CCOC(=O)CNC(=O)C1(C(C)C)CCC(C)CC1.
What is the InChIKey of ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The InChIKey is WGPLCTLKNPAYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-19-13(17)10-16-14(18)15(11(2)3)8-6-12(4)7-9-15/h11-12H,5-10H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate?
ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1-propan-2-ylcyclohexanecarbonyl)amino]acetate is sourced from PubChem (CID 129202003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).