N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

C19H36ClN3O2 — CID 119589615

IUPACN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(CC(=O)NC(CN)C1CCCCC1)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-14(21-19(24)16-10-6-3-7-11-16)12-18(23)22-17(13-20)15-8-4-2-5-9-15;/h14-17H,2-13,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyXPIRZOFFJGFIBC-UHFFFAOYSA-N
MW373.97 g/mol
LogP2.91
Rot. Bonds7

About N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119589615) has the molecular formula C19H36ClN3O2 and a molecular weight of 373.97 g/mol. Its IUPAC name is N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID119589615
Molecular FormulaC19H36ClN3O2
Molecular Weight373.97 g/mol
Exact Mass373.25
IUPAC NameN-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCC(CC(=O)NC(CN)C1CCCCC1)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C19H35N3O2.ClH/c1-14(21-19(24)16-10-6-3-7-11-16)12-18(23)22-17(13-20)15-8-4-2-5-9-15;/h14-17H,2-13,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyXPIRZOFFJGFIBC-UHFFFAOYSA-N
XLogP2.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.97
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-(2-amino-1-cyclohexylethyl)-1-methylpiperidine-4-carboxamide
CID 119591982
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119565580
N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119604609
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
CID 119363720

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 119589615) is N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is CC(CC(=O)NC(CN)C1CCCCC1)NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is XPIRZOFFJGFIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2.ClH/c1-14(21-19(24)16-10-6-3-7-11-16)12-18(23)22-17(13-20)15-8-4-2-5-9-15;/h14-17H,2-13,20H2,1H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 373.97 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119589615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).