(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride

C14H27ClN2O — CID 119294790

IUPAC(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride
SMILESCCC1CCC(N(C(=O)[C@H](C)N)C2CC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-11-4-6-12(7-5-11)16(13-8-9-13)14(17)10(2)15;/h10-13H,3-9,15H2,1-2H3;1H/t10-,11?,12?;/m0./s1
InChIKeyVDOFJEWEDFBZCQ-YGKYINHESA-N
MW274.84 g/mol
LogP2.72
Rot. Bonds4

About (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride

(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride (PubChem CID 119294790) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride
PubChem CID119294790
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride
SMILESCCC1CCC(N(C(=O)[C@H](C)N)C2CC2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-11-4-6-12(7-5-11)16(13-8-9-13)14(17)10(2)15;/h10-13H,3-9,15H2,1-2H3;1H/t10-,11?,12?;/m0./s1
InChIKeyVDOFJEWEDFBZCQ-YGKYINHESA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-methyl-3-(methylamino)propanamide
CID 119733275
(2S)-2-amino-N-cyclopropyl-N-(oxan-4-yl)propanamide
CID 129498740
(2S)-2-amino-N-cyclopropyl-N-(thian-4-yl)propanamide
CID 129496583
N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014294
2-amino-N-(4-ethylcyclohexyl)-N,4-dimethylpentanamide
CID 54907811
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
(2S)-2-amino-N-ethyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 66565875
3-[(4-ethylcyclohexyl)-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897738
(2S)-2-amino-N-cyclopropyl-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]propanamide
CID 96553456
4-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)-3-methoxybutanamide
CID 120589287
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 61146341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride (CID 119294790) is (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride is CCC1CCC(N(C(=O)[C@H](C)N)C2CC2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride?
The InChIKey is VDOFJEWEDFBZCQ-YGKYINHESA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-3-11-4-6-12(7-5-11)16(13-8-9-13)14(17)10(2)15;/h10-13H,3-9,15H2,1-2H3;1H/t10-,11?,12?;/m0./s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride?
(2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-(4-ethylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 119294790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).