2-[2-(oxepan-4-ylamino)phenyl]acetamide

C14H20N2O2 — CID 65082099

IUPAC2-[2-(oxepan-4-ylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC1CCCOCC1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-11-4-1-2-6-13(11)16-12-5-3-8-18-9-7-12/h1-2,4,6,12,16H,3,5,7-10H2,(H2,15,17)
InChIKeyFFFLWVLWBJBAQN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds4

About 2-[2-(oxepan-4-ylamino)phenyl]acetamide

2-[2-(oxepan-4-ylamino)phenyl]acetamide (PubChem CID 65082099) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(oxepan-4-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(oxepan-4-ylamino)phenyl]acetamide
PubChem CID65082099
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-(oxepan-4-ylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC1CCCOCC1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-11-4-1-2-6-13(11)16-12-5-3-8-18-9-7-12/h1-2,4,6,12,16H,3,5,7-10H2,(H2,15,17)
InChIKeyFFFLWVLWBJBAQN-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596435
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
N-[2-(2-methoxyethyl)phenyl]oxepan-4-amine
CID 102849048
2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
CID 64754665
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide
CID 79731342
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
2-[2-[(1-propylpiperidin-4-yl)amino]phenyl]acetamide
CID 43738460
2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide
CID 115998787
tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
CID 107247276
N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide
CID 136556780
4-methoxy-3-(oxepan-4-ylamino)benzamide
CID 65081746

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxepan-4-ylamino)phenyl]acetamide?
The IUPAC name of 2-[2-(oxepan-4-ylamino)phenyl]acetamide (CID 65082099) is 2-[2-(oxepan-4-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-(oxepan-4-ylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-(oxepan-4-ylamino)phenyl]acetamide is NC(=O)Cc1ccccc1NC1CCCOCC1.
What is the InChIKey of 2-[2-(oxepan-4-ylamino)phenyl]acetamide?
The InChIKey is FFFLWVLWBJBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)10-11-4-1-2-6-13(11)16-12-5-3-8-18-9-7-12/h1-2,4,6,12,16H,3,5,7-10H2,(H2,15,17).
What are the key properties of 2-[2-(oxepan-4-ylamino)phenyl]acetamide?
2-[2-(oxepan-4-ylamino)phenyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxepan-4-ylamino)phenyl]acetamide is sourced from PubChem (CID 65082099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).