(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide

C14H28N2O — CID 99776262

IUPAC(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide
SMILESCNC[C@H](C)C(=O)NC1CCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-10(2)12-5-7-13(8-6-12)16-14(17)11(3)9-15-4/h10-13,15H,5-9H2,1-4H3,(H,16,17)/t11-,12?,13?/m0/s1
InChIKeyWFTXZZCNNXRUOD-HIFPTAJRSA-N
MW240.39 g/mol
LogP2.17
Rot. Bonds5

About (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide

(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide (PubChem CID 99776262) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide
PubChem CID99776262
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide
SMILESCNC[C@H](C)C(=O)NC1CCC(C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-10(2)12-5-7-13(8-6-12)16-14(17)11(3)9-15-4/h10-13,15H,5-9H2,1-4H3,(H,16,17)/t11-,12?,13?/m0/s1
InChIKeyWFTXZZCNNXRUOD-HIFPTAJRSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
The IUPAC name of (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide (CID 99776262) is (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide.
What is the SMILES notation for (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
The canonical SMILES for (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide is CNC[C@H](C)C(=O)NC1CCC(C(C)C)CC1.
What is the InChIKey of (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
The InChIKey is WFTXZZCNNXRUOD-HIFPTAJRSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)12-5-7-13(8-6-12)16-14(17)11(3)9-15-4/h10-13,15H,5-9H2,1-4H3,(H,16,17)/t11-,12?,13?/m0/s1.
What are the key properties of (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide?
(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide is sourced from PubChem (CID 99776262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).