N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide

C16H30N2O2 — CID 79560458

IUPACN-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCCCC1CC(C)=O
InChIInChI=1S/C16H30N2O2/c1-4-5-10-17-16(20)14(3)18-11-8-6-7-9-15(18)12-13(2)19/h14-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyJGCRBOUZXBGVLM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.51
Rot. Bonds7

About N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide

N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide (PubChem CID 79560458) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
PubChem CID79560458
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCCCC1CC(C)=O
InChIInChI=1S/C16H30N2O2/c1-4-5-10-17-16(20)14(3)18-11-8-6-7-9-15(18)12-13(2)19/h14-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyJGCRBOUZXBGVLM-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
2-[2-(2-oxopropyl)pyrrolidin-1-yl]-N-prop-2-ynylpropanamide
CID 79546238
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
CID 61010725
methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115536975
N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79538902
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63847130
tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537692
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide?
The IUPAC name of N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide (CID 79560458) is N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide is CCCCNC(=O)C(C)N1CCCCCC1CC(C)=O.
What is the InChIKey of N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide?
The InChIKey is JGCRBOUZXBGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-5-10-17-16(20)14(3)18-11-8-6-7-9-15(18)12-13(2)19/h14-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide?
N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(2-oxopropyl)azepan-1-yl]propanamide is sourced from PubChem (CID 79560458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).