3-amino-N-(3-butoxypropyl)-5-methoxybenzamide

C15H24N2O3 — CID 115597742

IUPAC3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
SMILESCCCCOCCCNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C15H24N2O3/c1-3-4-7-20-8-5-6-17-15(18)12-9-13(16)11-14(10-12)19-2/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyWDGXXPXTHKZKDJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds9

About 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide

3-amino-N-(3-butoxypropyl)-5-methoxybenzamide (PubChem CID 115597742) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
PubChem CID115597742
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
SMILESCCCCOCCCNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C15H24N2O3/c1-3-4-7-20-8-5-6-17-15(18)12-9-13(16)11-14(10-12)19-2/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyWDGXXPXTHKZKDJ-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
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

3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3-amino-N-but-3-ynyl-5-methoxybenzamide
CID 81091765
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
CID 113396113
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-amino-N-hexan-2-yl-5-methoxybenzamide
CID 81090278
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide (CID 115597742) is 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide is CCCCOCCCNC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide?
The InChIKey is WDGXXPXTHKZKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-4-7-20-8-5-6-17-15(18)12-9-13(16)11-14(10-12)19-2/h9-11H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide?
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butoxypropyl)-5-methoxybenzamide is sourced from PubChem (CID 115597742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).