2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide

C14H27N3O2 — CID 60695646

IUPAC2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-8-15-14(19)12(2)16-11-13(18)17-9-6-4-5-7-10-17/h12,16H,3-11H2,1-2H3,(H,15,19)
InChIKeyKFQBEADOZBGXOQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds6

About 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide

2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide (PubChem CID 60695646) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide
PubChem CID60695646
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-8-15-14(19)12(2)16-11-13(18)17-9-6-4-5-7-10-17/h12,16H,3-11H2,1-2H3,(H,15,19)
InChIKeyKFQBEADOZBGXOQ-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677295
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide (CID 60695646) is 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NCC(=O)N1CCCCCC1.
What is the InChIKey of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide?
The InChIKey is KFQBEADOZBGXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-8-15-14(19)12(2)16-11-13(18)17-9-6-4-5-7-10-17/h12,16H,3-11H2,1-2H3,(H,15,19).
What are the key properties of 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide?
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide is sourced from PubChem (CID 60695646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).