(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride

C12H24ClN3O2 — CID 119331862

IUPAC(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC(=O)N(C)C1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(13)12(17)14-8-11(16)15(2)10-6-4-3-5-7-10;/h9-10H,3-8,13H2,1-2H3,(H,14,17);1H/t9-;/m1./s1
InChIKeyNQPCNOSMEOBSPR-SBSPUUFOSA-N
MW277.80 g/mol
LogP0.66
Rot. Bonds4

About (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride

(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride (PubChem CID 119331862) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride
PubChem CID119331862
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC(=O)N(C)C1CCCCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(13)12(17)14-8-11(16)15(2)10-6-4-3-5-7-10;/h9-10H,3-8,13H2,1-2H3,(H,14,17);1H/t9-;/m1./s1
InChIKeyNQPCNOSMEOBSPR-SBSPUUFOSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide
CID 119331863
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 81433975
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60964179
methyl 3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60964383
2-(tert-butylamino)-N-cyclopentyl-N-methylacetamide
CID 78987089

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride (CID 119331862) is (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCC(=O)N(C)C1CCCCC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride?
The InChIKey is NQPCNOSMEOBSPR-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-9(13)12(17)14-8-11(16)15(2)10-6-4-3-5-7-10;/h9-10H,3-8,13H2,1-2H3,(H,14,17);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide;hydrochloride is sourced from PubChem (CID 119331862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).