3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide

C14H27N3O2 — CID 119766445

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide
SMILESCC(N)CC(=O)N(CCC1CCCCC1)CC(N)=O
InChIInChI=1S/C14H27N3O2/c1-11(15)9-14(19)17(10-13(16)18)8-7-12-5-3-2-4-6-12/h11-12H,2-10,15H2,1H3,(H2,16,18)
InChIKeyPEXJNWURXGWKPP-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.01
Rot. Bonds7

About 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide

3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide (PubChem CID 119766445) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide
PubChem CID119766445
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide
SMILESCC(N)CC(=O)N(CCC1CCCCC1)CC(N)=O
InChIInChI=1S/C14H27N3O2/c1-11(15)9-14(19)17(10-13(16)18)8-7-12-5-3-2-4-6-12/h11-12H,2-10,15H2,1H3,(H2,16,18)
InChIKeyPEXJNWURXGWKPP-UHFFFAOYSA-N
XLogP1.01
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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)-N-(2-cyclohexylethyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537757
cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 125151502
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
CID 120872786
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
2-[2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(3-cyclononylpropyl)amino]acetic acid
CID 126603056
2-[2-cyclopentylethyl(piperidin-4-yl)amino]acetamide
CID 114191603

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide (CID 119766445) is 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide is CC(N)CC(=O)N(CCC1CCCCC1)CC(N)=O.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide?
The InChIKey is PEXJNWURXGWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(15)9-14(19)17(10-13(16)18)8-7-12-5-3-2-4-6-12/h11-12H,2-10,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide?
3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide has a molecular weight of 269.39 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-(2-cyclohexylethyl)butanamide is sourced from PubChem (CID 119766445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).