3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide

C14H27N3O2 — CID 55117201

IUPAC3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H27N3O2/c1-10(2)17(9-13(16)18)14(19)8-5-11-3-6-12(15)7-4-11/h10-12H,3-9,15H2,1-2H3,(H2,16,18)
InChIKeyZRXSVLSKENAXGL-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.01
Rot. Bonds6

About 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide

3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide (PubChem CID 55117201) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
PubChem CID55117201
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(N)=O)C(=O)CCC1CCC(N)CC1
InChIInChI=1S/C14H27N3O2/c1-10(2)17(9-13(16)18)14(19)8-5-11-3-6-12(15)7-4-11/h10-12H,3-9,15H2,1-2H3,(H2,16,18)
InChIKeyZRXSVLSKENAXGL-UHFFFAOYSA-N
XLogP1.01
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 55133656
3-[1-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]piperidin-4-yl]propanoic acid
CID 62210644
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
N-(2-amino-2-oxoethyl)-5-chloro-N-propan-2-ylpentanamide
CID 43578807
2-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62776305
3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55227765
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-3-piperidin-4-ylpropanamide
CID 62211442
2-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-methylacetamide
CID 62782843
3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
CID 79864897
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
CID 60830928
3-cyclopropylpropanamide
CID 53414720
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide (CID 55117201) is 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide is CC(C)N(CC(N)=O)C(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide?
The InChIKey is ZRXSVLSKENAXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)17(9-13(16)18)14(19)8-5-11-3-6-12(15)7-4-11/h10-12H,3-9,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide?
3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55117201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).