4-(azepan-4-ylamino)-2-methoxybenzamide

C14H21N3O2 — CID 23068034

IUPAC4-(azepan-4-ylamino)-2-methoxybenzamide
SMILESCOc1cc(NC2CCCNCC2)ccc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-19-13-9-11(4-5-12(13)14(15)18)17-10-3-2-7-16-8-6-10/h4-5,9-10,16-17H,2-3,6-8H2,1H3,(H2,15,18)
InChIKeyANCJBCXJRXQFIB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.35
Rot. Bonds4

About 4-(azepan-4-ylamino)-2-methoxybenzamide

4-(azepan-4-ylamino)-2-methoxybenzamide (PubChem CID 23068034) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(azepan-4-ylamino)-2-methoxybenzamide.

Molecular Properties

Compound Name4-(azepan-4-ylamino)-2-methoxybenzamide
PubChem CID23068034
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(azepan-4-ylamino)-2-methoxybenzamide
SMILESCOc1cc(NC2CCCNCC2)ccc1C(N)=O
InChIInChI=1S/C14H21N3O2/c1-19-13-9-11(4-5-12(13)14(15)18)17-10-3-2-7-16-8-6-10/h4-5,9-10,16-17H,2-3,6-8H2,1H3,(H2,15,18)
InChIKeyANCJBCXJRXQFIB-UHFFFAOYSA-N
XLogP1.35
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
N-(3,4,5-trimethoxyphenyl)azepan-4-amine
CID 103980388
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415
5-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
CID 23067973
5-(azepan-4-ylamino)benzene-1,3-dicarboxamide
CID 103980762
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
N-(4-chloro-3-methoxyphenyl)piperidin-3-amine
CID 107621326
3-chloro-2-methoxy-4-(piperidin-4-ylamino)benzamide
CID 23068117
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-4-ylamino)-2-methoxybenzamide?
The IUPAC name of 4-(azepan-4-ylamino)-2-methoxybenzamide (CID 23068034) is 4-(azepan-4-ylamino)-2-methoxybenzamide.
What is the SMILES notation for 4-(azepan-4-ylamino)-2-methoxybenzamide?
The canonical SMILES for 4-(azepan-4-ylamino)-2-methoxybenzamide is COc1cc(NC2CCCNCC2)ccc1C(N)=O.
What is the InChIKey of 4-(azepan-4-ylamino)-2-methoxybenzamide?
The InChIKey is ANCJBCXJRXQFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-9-11(4-5-12(13)14(15)18)17-10-3-2-7-16-8-6-10/h4-5,9-10,16-17H,2-3,6-8H2,1H3,(H2,15,18).
What are the key properties of 4-(azepan-4-ylamino)-2-methoxybenzamide?
4-(azepan-4-ylamino)-2-methoxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-4-ylamino)-2-methoxybenzamide is sourced from PubChem (CID 23068034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).