N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

C14H28ClN3O2 — CID 119500807

IUPACN-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCNCCNC(=O)CC(C)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-11(10-13(18)16-9-8-15-2)17-14(19)12-6-4-3-5-7-12;/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyYEGXRDXPSSMYRS-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.22
Rot. Bonds7

About N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 119500807) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID119500807
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC NameN-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCNCCNC(=O)CC(C)NC(=O)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-11(10-13(18)16-9-8-15-2)17-14(19)12-6-4-3-5-7-12;/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyYEGXRDXPSSMYRS-UHFFFAOYSA-N
XLogP1.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111460537
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119503732
N-[4-oxo-4-(2-pyrrolidin-3-ylethylamino)butan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119534348
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 119500807) is N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is CNCCNC(=O)CC(C)NC(=O)C1CCCCC1.Cl.
What is the InChIKey of N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is YEGXRDXPSSMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-11(10-13(18)16-9-8-15-2)17-14(19)12-6-4-3-5-7-12;/h11-12,15H,3-10H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 119500807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).