2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide

C14H27N3O2 — CID 61464466

IUPAC2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(C)C(=O)N1CCCCCC1)C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-11(13(18)16(3)4)15-12(2)14(19)17-9-7-5-6-8-10-17/h11-12,15H,5-10H2,1-4H3
InChIKeyGXYBUCOXPZLXDU-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.84
Rot. Bonds4

About 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide

2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide (PubChem CID 61464466) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
PubChem CID61464466
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
SMILESCC(NC(C)C(=O)N1CCCCCC1)C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-11(13(18)16(3)4)15-12(2)14(19)17-9-7-5-6-8-10-17/h11-12,15H,5-10H2,1-4H3
InChIKeyGXYBUCOXPZLXDU-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 54959087
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
methyl 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 43386372
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide (CID 61464466) is 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide is CC(NC(C)C(=O)N1CCCCCC1)C(=O)N(C)C.
What is the InChIKey of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is GXYBUCOXPZLXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(13(18)16(3)4)15-12(2)14(19)17-9-7-5-6-8-10-17/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide?
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61464466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).