N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride

C14H28ClN3O2 — CID 120832836

IUPACN-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCNC(C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(15-3)9-16-13(18)11(2)17-14(19)12-7-5-4-6-8-12;/h10-12,15H,4-9H2,1-3H3,(H,16,18)(H,17,19);1H/t10?,11-;/m0./s1
InChIKeyGLUDPPXBFBBYKW-GQNCZFCYSA-N
MW305.85 g/mol
LogP1.22
Rot. Bonds6

About N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120832836) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID120832836
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC NameN-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCNC(C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-10(15-3)9-16-13(18)11(2)17-14(19)12-7-5-4-6-8-12;/h10-12,15H,4-9H2,1-3H3,(H,16,18)(H,17,19);1H/t10?,11-;/m0./s1
InChIKeyGLUDPPXBFBBYKW-GQNCZFCYSA-N
XLogP1.22
TPSA70.23 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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120943537
2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512
N-[1-oxo-1-(propylamino)propan-2-yl]cyclopropanecarboxamide
CID 60659669
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 120832836) is N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride is CNC(C)CNC(=O)[C@H](C)NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is GLUDPPXBFBBYKW-GQNCZFCYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-10(15-3)9-16-13(18)11(2)17-14(19)12-7-5-4-6-8-12;/h10-12,15H,4-9H2,1-3H3,(H,16,18)(H,17,19);1H/t10?,11-;/m0./s1.
What are the key properties of N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120832836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).