4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide

C15H23N3O2 — CID 65123098

IUPAC4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
SMILESNC(=O)c1ccc(N)c(NCC2(O)CCCCCC2)c1
InChIInChI=1S/C15H23N3O2/c16-12-6-5-11(14(17)19)9-13(12)18-10-15(20)7-3-1-2-4-8-15/h5-6,9,18,20H,1-4,7-8,10,16H2,(H2,17,19)
InChIKeyMSJGVVLAVWSNRP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.86
Rot. Bonds4

About 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide

4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide (PubChem CID 65123098) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
PubChem CID65123098
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
SMILESNC(=O)c1ccc(N)c(NCC2(O)CCCCCC2)c1
InChIInChI=1S/C15H23N3O2/c16-12-6-5-11(14(17)19)9-13(12)18-10-15(20)7-3-1-2-4-8-15/h5-6,9,18,20H,1-4,7-8,10,16H2,(H2,17,19)
InChIKeyMSJGVVLAVWSNRP-UHFFFAOYSA-N
XLogP1.86
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
CID 65108096
4-amino-3-[(1-hydroxycyclohexyl)methylamino]-N-methylbenzamide
CID 65102655
4-amino-3-[(1-ethylcyclobutyl)methylamino]benzamide
CID 114107376
4-amino-3-[(2-methylthiolan-2-yl)methylamino]benzamide
CID 80737585
4-amino-3-[(4-hydroxyoxan-4-yl)methylamino]-N,N-dimethylbenzamide
CID 81133978
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzamide
CID 79353564
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-3-(thiolan-2-ylmethylamino)benzamide
CID 80585007
4-amino-3-[(1,1-dioxothiolan-2-yl)methylamino]benzamide
CID 81038764
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
3-amino-4-[(1-hydroxycycloheptyl)methylamino]benzonitrile
CID 65122900

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide?
The IUPAC name of 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide (CID 65123098) is 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide?
The canonical SMILES for 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide is NC(=O)c1ccc(N)c(NCC2(O)CCCCCC2)c1.
What is the InChIKey of 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide?
The InChIKey is MSJGVVLAVWSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-12-6-5-11(14(17)19)9-13(12)18-10-15(20)7-3-1-2-4-8-15/h5-6,9,18,20H,1-4,7-8,10,16H2,(H2,17,19).
What are the key properties of 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide?
4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide is sourced from PubChem (CID 65123098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).