2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide

C14H27N3O2 — CID 64822146

IUPAC2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCCCC1N
InChIInChI=1S/C14H27N3O2/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15/h9-12H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRQQXQSQCWXAYEZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.78
Rot. Bonds5

About 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide

2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 64822146) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
PubChem CID64822146
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C1CCCCC1N
InChIInChI=1S/C14H27N3O2/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15/h9-12H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRQQXQSQCWXAYEZ-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 110015354
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 63043214
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
cis-(1R,2S)-2-amino-N-(1-hydroxyimino-4-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 173147997
4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79210528
2-[(2-aminocyclohexanecarbonyl)amino]-3-hydroxypropanoic acid
CID 64824797
3-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 102777521
2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
CID 113493513
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide (CID 64822146) is 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is CNC(=O)C(CC(C)C)NC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is RQQXQSQCWXAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15/h9-12H,4-8,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 64822146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).