2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide

C12H23N3O2 — CID 62776305

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1CCCCC1N
InChIInChI=1S/C12H23N3O2/c1-8(2)15(7-11(14)16)12(17)9-5-3-4-6-10(9)13/h8-10H,3-7,13H2,1-2H3,(H2,14,16)
InChIKeyCCAOHBLXGFQMIA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.23
Rot. Bonds4

About 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide

2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 62776305) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID62776305
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)C1CCCCC1N
InChIInChI=1S/C12H23N3O2/c1-8(2)15(7-11(14)16)12(17)9-5-3-4-6-10(9)13/h8-10H,3-7,13H2,1-2H3,(H2,14,16)
InChIKeyCCAOHBLXGFQMIA-UHFFFAOYSA-N
XLogP0.23
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 64824092
2-amino-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 64823314
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63714593
2-amino-N-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 62775790
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
2-[(2-aminocyclohexanecarbonyl)-(carboxymethyl)amino]acetic acid
CID 64822709
3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
CID 55117201
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
1-(2-aminocycloheptyl)-2-methylpropan-1-one
CID 116595078
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 64824749

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 62776305) is 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)N(CC(N)=O)C(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is CCAOHBLXGFQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)15(7-11(14)16)12(17)9-5-3-4-6-10(9)13/h8-10H,3-7,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide?
2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62776305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).