N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide

C18H34N2O3 — CID 111478031

IUPACN-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)CC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C18H34N2O3/c1-5-13(2)18(4,23)12-19-16(21)11-14(3)20-17(22)15-9-7-6-8-10-15/h13-15,23H,5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyLALVSNISZCZHCL-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.37
Rot. Bonds8

About N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide

N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 111478031) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID111478031
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC NameN-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)CC(C)NC(=O)C1CCCCC1
InChIInChI=1S/C18H34N2O3/c1-5-13(2)18(4,23)12-19-16(21)11-14(3)20-17(22)15-9-7-6-8-10-15/h13-15,23H,5-12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyLALVSNISZCZHCL-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111477872
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111442087
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
(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
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
N-(2-hydroxy-2,3-dimethylpentyl)thiolane-2-carboxamide
CID 111477877

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide (CID 111478031) is N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide is CCC(C)C(C)(O)CNC(=O)CC(C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is LALVSNISZCZHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-5-13(2)18(4,23)12-19-16(21)11-14(3)20-17(22)15-9-7-6-8-10-15/h13-15,23H,5-12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 326.48 g/mol, XLogP of 2.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-2,3-dimethylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 111478031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).