2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide

C16H25N3O — CID 61240014

IUPAC2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1)NCCN1CCCCCC1
InChIInChI=1S/C16H25N3O/c20-16(14-18-15-8-4-3-5-9-15)17-10-13-19-11-6-1-2-7-12-19/h3-5,8-9,18H,1-2,6-7,10-14H2,(H,17,20)
InChIKeyYJLYKOINZWHWAQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.09
Rot. Bonds6

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

2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide (PubChem CID 61240014) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
PubChem CID61240014
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESO=C(CNc1ccccc1)NCCN1CCCCCC1
InChIInChI=1S/C16H25N3O/c20-16(14-18-15-8-4-3-5-9-15)17-10-13-19-11-6-1-2-7-12-19/h3-5,8-9,18H,1-2,6-7,10-14H2,(H,17,20)
InChIKeyYJLYKOINZWHWAQ-UHFFFAOYSA-N
XLogP2.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 975347
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N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
N-(6-piperidin-1-ylhexyl)aniline
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2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 119726337
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 23738363
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
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CID 39082370

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide (CID 61240014) is 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide is O=C(CNc1ccccc1)NCCN1CCCCCC1.
What is the InChIKey of 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide?
The InChIKey is YJLYKOINZWHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(14-18-15-8-4-3-5-9-15)17-10-13-19-11-6-1-2-7-12-19/h3-5,8-9,18H,1-2,6-7,10-14H2,(H,17,20).
What are the key properties of 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide?
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 61240014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).