2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide

C14H27N3O2 — CID 71918170

IUPAC2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
SMILESCCC(C)(NCC(=O)N1CCCCCCC1)C(N)=O
InChIInChI=1S/C14H27N3O2/c1-3-14(2,13(15)19)16-11-12(18)17-9-7-5-4-6-8-10-17/h16H,3-11H2,1-2H3,(H2,15,19)
InChIKeySEYSIEAXLRIQDQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.02
Rot. Bonds5

About 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide

2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide (PubChem CID 71918170) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
PubChem CID71918170
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide
SMILESCCC(C)(NCC(=O)N1CCCCCCC1)C(N)=O
InChIInChI=1S/C14H27N3O2/c1-3-14(2,13(15)19)16-11-12(18)17-9-7-5-4-6-8-10-17/h16H,3-11H2,1-2H3,(H2,15,19)
InChIKeySEYSIEAXLRIQDQ-UHFFFAOYSA-N
XLogP1.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpentan-3-ylamino)-1-piperidin-1-ylethanone
CID 103746610
1-(azepan-1-yl)-2-(2-methylpentan-2-ylamino)ethanone
CID 113229337
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 114167213
1-piperidin-1-yl-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
CID 54948974
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
1-(azepan-1-yl)-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethanone
CID 106256502
2-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 61218287
(3R)-1-[2-[(1-cycloheptyl-2-methylpropan-2-yl)amino]acetyl]piperidine-3-carboxamide
CID 99778459
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
(2R)-2-[[(2R)-2,4-dimethylpentyl]amino]-2-methylbutanamide
CID 124873038
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide?
The IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide (CID 71918170) is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide.
What is the SMILES notation for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide?
The canonical SMILES for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide is CCC(C)(NCC(=O)N1CCCCCCC1)C(N)=O.
What is the InChIKey of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide?
The InChIKey is SEYSIEAXLRIQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-14(2,13(15)19)16-11-12(18)17-9-7-5-4-6-8-10-17/h16H,3-11H2,1-2H3,(H2,15,19).
What are the key properties of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide?
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-methylbutanamide is sourced from PubChem (CID 71918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).