4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide

C13H25N3O2 — CID 62782527

IUPAC4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CCC(N)CC1C
InChIInChI=1S/C13H25N3O2/c1-8(2)16-12(17)7-15-13(18)11-5-4-10(14)6-9(11)3/h8-11H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVSZBFQUNBKDQFI-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.39
Rot. Bonds4

About 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide

4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 62782527) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID62782527
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CCC(N)CC1C
InChIInChI=1S/C13H25N3O2/c1-8(2)16-12(17)7-15-13(18)11-5-4-10(14)6-9(11)3/h8-11H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyVSZBFQUNBKDQFI-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 114995560
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methylcyclohexane-1-carboxamide
CID 62782833
4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62782165
3-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782619
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045
4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62783252
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
4-amino-2-methyl-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62781647
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide (CID 62782527) is 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide is CC(C)NC(=O)CNC(=O)C1CCC(N)CC1C.
What is the InChIKey of 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is VSZBFQUNBKDQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8(2)16-12(17)7-15-13(18)11-5-4-10(14)6-9(11)3/h8-11H,4-7,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide?
4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62782527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).