N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide

C17H26N2O2 — CID 86929905

IUPACN-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCN1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-15(21-16-9-5-4-6-10-16)17(20)18-11-14-19-12-7-2-3-8-13-19/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,18,20)
InChIKeyKTIPCNGAPQEGQH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide

N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide (PubChem CID 86929905) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
PubChem CID86929905
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCN1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-15(21-16-9-5-4-6-10-16)17(20)18-11-14-19-12-7-2-3-8-13-19/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,18,20)
InChIKeyKTIPCNGAPQEGQH-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51237843
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
CID 121110194
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982
(2R)-2-phenoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94099373
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide (CID 86929905) is N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide?
The InChIKey is KTIPCNGAPQEGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-15(21-16-9-5-4-6-10-16)17(20)18-11-14-19-12-7-2-3-8-13-19/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide?
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.45, 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]-2-phenoxypropanamide is sourced from PubChem (CID 86929905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).