4-methoxy-3-(oxepan-4-ylamino)benzamide

C14H20N2O3 — CID 65081746

IUPAC4-methoxy-3-(oxepan-4-ylamino)benzamide
SMILESCOc1ccc(C(N)=O)cc1NC1CCCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-13-5-4-10(14(15)17)9-12(13)16-11-3-2-7-19-8-6-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H2,15,17)
InChIKeyHMWIAJSEYIXSSC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds4

About 4-methoxy-3-(oxepan-4-ylamino)benzamide

4-methoxy-3-(oxepan-4-ylamino)benzamide (PubChem CID 65081746) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methoxy-3-(oxepan-4-ylamino)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(oxepan-4-ylamino)benzamide
PubChem CID65081746
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methoxy-3-(oxepan-4-ylamino)benzamide
SMILESCOc1ccc(C(N)=O)cc1NC1CCCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-13-5-4-10(14(15)17)9-12(13)16-11-3-2-7-19-8-6-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H2,15,17)
InChIKeyHMWIAJSEYIXSSC-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
3-[(1,1-dioxothian-3-yl)amino]-4-methoxybenzamide
CID 63922418
3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
CID 64750811
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide
CID 43735416
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
CID 115928742
3-(1-cyclopentylethylamino)-4-methoxybenzamide
CID 62632996
methyl 3-methyl-4-(oxepan-4-ylamino)benzoate
CID 65081947
4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
CID 43789041
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
N-(2-methoxy-4-nitrophenyl)oxepan-4-amine
CID 65081486
3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
CID 23204628
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(oxepan-4-ylamino)benzamide?
The IUPAC name of 4-methoxy-3-(oxepan-4-ylamino)benzamide (CID 65081746) is 4-methoxy-3-(oxepan-4-ylamino)benzamide.
What is the SMILES notation for 4-methoxy-3-(oxepan-4-ylamino)benzamide?
The canonical SMILES for 4-methoxy-3-(oxepan-4-ylamino)benzamide is COc1ccc(C(N)=O)cc1NC1CCCOCC1.
What is the InChIKey of 4-methoxy-3-(oxepan-4-ylamino)benzamide?
The InChIKey is HMWIAJSEYIXSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13-5-4-10(14(15)17)9-12(13)16-11-3-2-7-19-8-6-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H2,15,17).
What are the key properties of 4-methoxy-3-(oxepan-4-ylamino)benzamide?
4-methoxy-3-(oxepan-4-ylamino)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(oxepan-4-ylamino)benzamide is sourced from PubChem (CID 65081746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).