N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide

C15H25N3O — CID 45106881

IUPACN-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCCN1CCCCCC1
InChIInChI=1S/C15H25N3O/c19-15(7-13-17-11-5-6-12-17)16-8-14-18-9-3-1-2-4-10-18/h5-6,11-12H,1-4,7-10,13-14H2,(H,16,19)
InChIKeyOYMNWRWEQCGKGN-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide

N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide (PubChem CID 45106881) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide
PubChem CID45106881
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NCCN1CCCCCC1
InChIInChI=1S/C15H25N3O/c19-15(7-13-17-11-5-6-12-17)16-8-14-18-9-3-1-2-4-10-18/h5-6,11-12H,1-4,7-10,13-14H2,(H,16,19)
InChIKeyOYMNWRWEQCGKGN-UHFFFAOYSA-N
XLogP1.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide (CID 45106881) is N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is OYMNWRWEQCGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c19-15(7-13-17-11-5-6-12-17)16-8-14-18-9-3-1-2-4-10-18/h5-6,11-12H,1-4,7-10,13-14H2,(H,16,19).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide?
N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 45106881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).