N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide

C20H27N3O3 — CID 112981519

IUPACN-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCCN(C)C)cc2)c1
InChIInChI=1S/C20H27N3O3/c1-23(2)11-5-10-21-16-6-8-17(9-7-16)22-20(24)15-12-18(25-3)14-19(13-15)26-4/h6-9,12-14,21H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyWSGJBNRFAPKVSA-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.32
Rot. Bonds9

About N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide

N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide (PubChem CID 112981519) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide
PubChem CID112981519
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCCCN(C)C)cc2)c1
InChIInChI=1S/C20H27N3O3/c1-23(2)11-5-10-21-16-6-8-17(9-7-16)22-20(24)15-12-18(25-3)14-19(13-15)26-4/h6-9,12-14,21H,5,10-11H2,1-4H3,(H,22,24)
InChIKeyWSGJBNRFAPKVSA-UHFFFAOYSA-N
XLogP3.32
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
CID 112981526
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907
N-[4-(butylamino)phenyl]-4-methoxybenzamide
CID 112980225
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982381
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide (CID 112981519) is N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCCCN(C)C)cc2)c1.
What is the InChIKey of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is WSGJBNRFAPKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-23(2)11-5-10-21-16-6-8-17(9-7-16)22-20(24)15-12-18(25-3)14-19(13-15)26-4/h6-9,12-14,21H,5,10-11H2,1-4H3,(H,22,24).
What are the key properties of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide?
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112981519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).