5-[(3,4-dimethoxyphenyl)methylamino]pentanamide

C14H22N2O3 — CID 106233498

IUPAC5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
SMILESCOc1ccc(CNCCCCC(N)=O)cc1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-7-6-11(9-13(12)19-2)10-16-8-4-3-5-14(15)17/h6-7,9,16H,3-5,8,10H2,1-2H3,(H2,15,17)
InChIKeyBARQZPLDNNIQGS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.45
Rot. Bonds9

About 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide

5-[(3,4-dimethoxyphenyl)methylamino]pentanamide (PubChem CID 106233498) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
PubChem CID106233498
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
SMILESCOc1ccc(CNCCCCC(N)=O)cc1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-7-6-11(9-13(12)19-2)10-16-8-4-3-5-14(15)17/h6-7,9,16H,3-5,8,10H2,1-2H3,(H2,15,17)
InChIKeyBARQZPLDNNIQGS-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
CID 60865183
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639231
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
CID 106234716
N'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
3-[(3-cyano-4-methoxyphenyl)methylamino]propanamide
CID 65335970

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide (CID 106233498) is 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide is COc1ccc(CNCCCCC(N)=O)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide?
The InChIKey is BARQZPLDNNIQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-12-7-6-11(9-13(12)19-2)10-16-8-4-3-5-14(15)17/h6-7,9,16H,3-5,8,10H2,1-2H3,(H2,15,17).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide?
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide has a molecular weight of 266.34 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methylamino]pentanamide is sourced from PubChem (CID 106233498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).