N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride

C14H28ClN3O2 — CID 120508255

IUPACN-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(9-15)16-14(19)11(2)17-13(18)8-12-6-4-3-5-7-12;/h10-12H,3-9,15H2,1-2H3,(H,16,19)(H,17,18);1H/t10-,11?;/m0./s1
InChIKeyWWSIJECOPSHNCD-JMFXEUCVSA-N
MW305.85 g/mol
LogP1.35
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride (PubChem CID 120508255) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
PubChem CID120508255
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(9-15)16-14(19)11(2)17-13(18)8-12-6-4-3-5-7-12;/h10-12H,3-9,15H2,1-2H3,(H,16,19)(H,17,18);1H/t10-,11?;/m0./s1
InChIKeyWWSIJECOPSHNCD-JMFXEUCVSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
N-(1-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
2-[(2-cyclohexylacetyl)amino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601875

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride (CID 120508255) is N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride is CC(NC(=O)CC1CCCCC1)C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The InChIKey is WWSIJECOPSHNCD-JMFXEUCVSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-10(9-15)16-14(19)11(2)17-13(18)8-12-6-4-3-5-7-12;/h10-12H,3-9,15H2,1-2H3,(H,16,19)(H,17,18);1H/t10-,11?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 120508255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).