N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide

C15H29N3O2 — CID 120831062

IUPACN-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCNC(C)CNC(=O)CC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-11(9-14(19)17-10-12(2)16-3)18-15(20)13-7-5-4-6-8-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyAEFCGGJCPCOFOT-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.19
Rot. Bonds7

About N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide

N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 120831062) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID120831062
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCNC(C)CNC(=O)CC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-11(9-14(19)17-10-12(2)16-3)18-15(20)13-7-5-4-6-8-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyAEFCGGJCPCOFOT-UHFFFAOYSA-N
XLogP1.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[(2S)-1-[2-(methylamino)propylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120832836
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111460537
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111478031
N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111102571
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide (CID 120831062) is N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide is CNC(C)CNC(=O)CC(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is AEFCGGJCPCOFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(9-14(19)17-10-12(2)16-3)18-15(20)13-7-5-4-6-8-13/h11-13,16H,4-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.19, 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)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 120831062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).