3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide

C14H23N3O2 — CID 81090806

IUPAC3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCCCCN(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-17(2)7-5-4-6-16-14(18)11-8-12(15)10-13(9-11)19-3/h8-10H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyUEWHBAFHTXRUQK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.35
Rot. Bonds7

About 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide

3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide (PubChem CID 81090806) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
PubChem CID81090806
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NCCCCN(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-17(2)7-5-4-6-16-14(18)11-8-12(15)10-13(9-11)19-3/h8-10H,4-7,15H2,1-3H3,(H,16,18)
InChIKeyUEWHBAFHTXRUQK-UHFFFAOYSA-N
XLogP1.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.35
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

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3-amino-N-[3-(dimethylamino)propyl]-5-methoxy-N-methylbenzamide
CID 81092304
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-amino-N-but-3-ynyl-5-methoxybenzamide
CID 81091765
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 81094396
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide (CID 81090806) is 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide is COc1cc(N)cc(C(=O)NCCCCN(C)C)c1.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide?
The InChIKey is UEWHBAFHTXRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(2)7-5-4-6-16-14(18)11-8-12(15)10-13(9-11)19-3/h8-10H,4-7,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide?
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide has a molecular weight of 265.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide is sourced from PubChem (CID 81090806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).