4-amino-N-methyl-3-(3-propoxypropylamino)benzamide

C14H23N3O2 — CID 82940087

IUPAC4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
SMILESCCCOCCCNc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C14H23N3O2/c1-3-8-19-9-4-7-17-13-10-11(14(18)16-2)5-6-12(13)15/h5-6,10,17H,3-4,7-9,15H2,1-2H3,(H,16,18)
InChIKeyURPQBCWMMZTVQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds8

About 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide

4-amino-N-methyl-3-(3-propoxypropylamino)benzamide (PubChem CID 82940087) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
PubChem CID82940087
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
SMILESCCCOCCCNc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C14H23N3O2/c1-3-8-19-9-4-7-17-13-10-11(14(18)16-2)5-6-12(13)15/h5-6,10,17H,3-4,7-9,15H2,1-2H3,(H,16,18)
InChIKeyURPQBCWMMZTVQC-UHFFFAOYSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
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

4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956
4-amino-3-(3-ethoxypropylamino)benzamide
CID 63355784
4-amino-3-(3-propoxypropylamino)benzonitrile
CID 113444258
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
methyl 4-amino-3-(hexylamino)benzoate
CID 82796460
methyl 4-amino-3-(octylamino)benzoate
CID 82796381
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide (CID 82940087) is 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide is CCCOCCCNc1cc(C(=O)NC)ccc1N.
What is the InChIKey of 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide?
The InChIKey is URPQBCWMMZTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-8-19-9-4-7-17-13-10-11(14(18)16-2)5-6-12(13)15/h5-6,10,17H,3-4,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-3-(3-propoxypropylamino)benzamide?
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide has a molecular weight of 265.36 g/mol, XLogP of 1.86, 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-3-(3-propoxypropylamino)benzamide is sourced from PubChem (CID 82940087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).