ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate

C16H30N2O3 — CID 134386123

IUPACethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate
SMILESCCOC(=O)NC1CC(C)(C)CC(C)(NC(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-7-21-14(20)17-12-8-15(4,5)10-16(6,9-12)18-13(19)11(2)3/h11-12H,7-10H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyZJUWJPNWWAVVNF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.84
Rot. Bonds4

About ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate

ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate (PubChem CID 134386123) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate
PubChem CID134386123
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate
SMILESCCOC(=O)NC1CC(C)(C)CC(C)(NC(=O)C(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-7-21-14(20)17-12-8-15(4,5)10-16(6,9-12)18-13(19)11(2)3/h11-12H,7-10H2,1-6H3,(H,17,20)(H,18,19)
InChIKeyZJUWJPNWWAVVNF-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
CID 177172278
[5-(methoxycarbonylamino)-1,3,3-trimethylcyclohexyl]carbamic acid
CID 71201632
[3-(methoxycarbonylamino)-3,5,5-trimethylcyclohexyl]carbamic acid
CID 70854805
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide
CID 20647612
2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
ethyl N-(7-azaspiro[3.5]nonan-2-yl)carbamate
CID 130016002
(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
CID 120874151
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940
(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340
2-[[3-[(ethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 122658963
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate?
The IUPAC name of ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate (CID 134386123) is ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate?
The canonical SMILES for ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate is CCOC(=O)NC1CC(C)(C)CC(C)(NC(=O)C(C)C)C1.
What is the InChIKey of ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate?
The InChIKey is ZJUWJPNWWAVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-21-14(20)17-12-8-15(4,5)10-16(6,9-12)18-13(19)11(2)3/h11-12H,7-10H2,1-6H3,(H,17,20)(H,18,19).
What are the key properties of ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate?
ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate has a molecular weight of 298.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3,3,5-trimethyl-5-(2-methylpropanoylamino)cyclohexyl]carbamate is sourced from PubChem (CID 134386123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).