4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide

C15H25N3O2 — CID 106006969

IUPAC4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCCCOC(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)20-9-5-4-8-18-14-10-12(16)6-7-13(14)15(19)17-3/h6-7,10-11,18H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyRCBGHVOODVPOPZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.25
Rot. Bonds8

About 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide

4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide (PubChem CID 106006969) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
PubChem CID106006969
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
SMILESCNC(=O)c1ccc(N)cc1NCCCCOC(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)20-9-5-4-8-18-14-10-12(16)6-7-13(14)15(19)17-3/h6-7,10-11,18H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeyRCBGHVOODVPOPZ-UHFFFAOYSA-N
XLogP2.25
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide
CID 100653033
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
CID 106308871
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
4-amino-2-[1-(dimethylamino)propan-2-ylamino]-N-methylbenzamide
CID 82946067
2-amino-4-fluoro-5-(4-propan-2-yloxybutylamino)benzoic acid
CID 106014240
4-acetyl-3-(3-propan-2-yloxypropylamino)benzonitrile
CID 133465855
5-bromo-2-(4-propan-2-yloxybutylamino)benzoic acid
CID 114136442
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
4-amino-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-methylbenzamide
CID 79248207
4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630405

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide (CID 106006969) is 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide is CNC(=O)c1ccc(N)cc1NCCCCOC(C)C.
What is the InChIKey of 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide?
The InChIKey is RCBGHVOODVPOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)20-9-5-4-8-18-14-10-12(16)6-7-13(14)15(19)17-3/h6-7,10-11,18H,4-5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide?
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide has a molecular weight of 279.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide is sourced from PubChem (CID 106006969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).