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

C21H29N3O4 — CID 112981526

IUPACN-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCCCN(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H29N3O4/c1-24(2)12-6-11-22-16-7-9-17(10-8-16)23-21(25)15-13-18(26-3)20(28-5)19(14-15)27-4/h7-10,13-14,22H,6,11-12H2,1-5H3,(H,23,25)
InChIKeyATAUUESNKOJFMO-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.33
Rot. Bonds10

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

N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 112981526) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID112981526
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCCCN(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H29N3O4/c1-24(2)12-6-11-22-16-7-9-17(10-8-16)23-21(25)15-13-18(26-3)20(28-5)19(14-15)27-4/h7-10,13-14,22H,6,11-12H2,1-5H3,(H,23,25)
InChIKeyATAUUESNKOJFMO-UHFFFAOYSA-N
XLogP3.33
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-3,5-dimethoxybenzamide
CID 112981519
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108916894
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(4-ethynylphenyl)-3,4,5-trimethoxybenzamide
CID 91398084

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide (CID 112981526) is N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NCCCN(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ATAUUESNKOJFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-24(2)12-6-11-22-16-7-9-17(10-8-16)23-21(25)15-13-18(26-3)20(28-5)19(14-15)27-4/h7-10,13-14,22H,6,11-12H2,1-5H3,(H,23,25).
What are the key properties of N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 387.48 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propylamino]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 112981526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).