N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide

C20H26N2O3 — CID 112984141

IUPACN-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-5-6-20(23)22-17-10-8-16(9-11-17)21-14-15-7-12-18(24-2)19(13-15)25-3/h7-13,21H,4-6,14H2,1-3H3,(H,22,23)
InChIKeyIFCVBCICQIUGOJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.44
Rot. Bonds9

About N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide

N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide (PubChem CID 112984141) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
PubChem CID112984141
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-5-6-20(23)22-17-10-8-16(9-11-17)21-14-15-7-12-18(24-2)19(13-15)25-3/h7-13,21H,4-6,14H2,1-3H3,(H,22,23)
InChIKeyIFCVBCICQIUGOJ-UHFFFAOYSA-N
XLogP4.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
CID 110424664
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
(E)-N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]octadec-9-enamide
CID 6478811
2-[2-methoxy-4-[(pentylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 17213470
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide?
The IUPAC name of N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide (CID 112984141) is N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide?
The canonical SMILES for N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide is CCCCC(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide?
The InChIKey is IFCVBCICQIUGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-5-6-20(23)22-17-10-8-16(9-11-17)21-14-15-7-12-18(24-2)19(13-15)25-3/h7-13,21H,4-6,14H2,1-3H3,(H,22,23).
What are the key properties of N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide?
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide has a molecular weight of 342.44 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide is sourced from PubChem (CID 112984141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).