3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide

C15H23N3O2 — CID 83000421

IUPAC3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(NCC2CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-2-17-15(19)12-3-4-14(13(16)9-12)18-10-11-5-7-20-8-6-11/h3-4,9,11,18H,2,5-8,10,16H2,1H3,(H,17,19)
InChIKeyNHHCWOGXNLGKMA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.86
Rot. Bonds5

About 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide

3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide (PubChem CID 83000421) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
PubChem CID83000421
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(NCC2CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-2-17-15(19)12-3-4-14(13(16)9-12)18-10-11-5-7-20-8-6-11/h3-4,9,11,18H,2,5-8,10,16H2,1H3,(H,17,19)
InChIKeyNHHCWOGXNLGKMA-UHFFFAOYSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
3-amino-4-(oxan-4-ylmethylamino)-N,N-bis(2,2,2-trifluoroethyl)benzamide
CID 86612462
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990424
3-amino-N-ethyl-4-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 82990686
3-amino-4-(oxolan-3-ylmethylamino)benzamide
CID 62822752
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63706454
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
ethyl 3-amino-4-(cyclohexylmethylamino)benzoate
CID 61305342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide (CID 83000421) is 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide is CCNC(=O)c1ccc(NCC2CCOCC2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide?
The InChIKey is NHHCWOGXNLGKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-17-15(19)12-3-4-14(13(16)9-12)18-10-11-5-7-20-8-6-11/h3-4,9,11,18H,2,5-8,10,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide?
3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide is sourced from PubChem (CID 83000421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).