2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide

C17H34N2O — CID 103107695

IUPAC2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-7-19(6)16(20)13(2)18-12-14-8-10-15(11-9-14)17(3,4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyKNNNEDVOMQTZNV-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.30
Rot. Bonds5

About 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide

2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103107695) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103107695
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-7-19(6)16(20)13(2)18-12-14-8-10-15(11-9-14)17(3,4)5/h13-15,18H,7-12H2,1-6H3
InChIKeyKNNNEDVOMQTZNV-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropylamino)pentanoyl]amino]pentanoyl]amino]-4-methylpentanamide
CID 11744611
N-(2-cyclooctylethyl)-2-piperazin-1-ylpropanamide
CID 49853882
4-tert-butyl-N-(3-methyl-1-oxo-1-{[3-(piperidin-1-yl)propyl]amino}butan-2-yl)cyclohexanecarboxamide
CID 16188551
(6S)-1-[[1-[(4-tert-butylcyclohexyl)methyl]piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281052
(6R)-6-butyl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299353
(S)-2-{(S)-2-[(R)-2-(3-Cyclohexyl-propylamino)-butyrylamino]-pentanoylamino}-4-methyl-pentanoic acid amide
CID 44307132
N-{2-[Bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-3-methylbutanamide
CID 15987922
(6S)-6-butan-2-yl-1-(4-cyclohexylbutyl)piperazine-2,3-dione
CID 53299343
(6S)-6-(cyclohexylmethyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 53299359
2-[(2-tert-butylcyclohexyl)amino]-N,N-dimethylacetamide
CID 43214582
(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 94208897

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide (CID 103107695) is 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is KNNNEDVOMQTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-19(6)16(20)13(2)18-12-14-8-10-15(11-9-14)17(3,4)5/h13-15,18H,7-12H2,1-6H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 282.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103107695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).