4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

C15H24N2O4 — CID 61273980

IUPAC4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCNCCCC(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-16-7-5-6-14(18)17-10-11-8-12(19-2)15(21-4)13(9-11)20-3/h8-9,16H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyFRZUUTCJWNRBGZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.33
Rot. Bonds9

About 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide

4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (PubChem CID 61273980) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
PubChem CID61273980
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
SMILESCNCCCC(=O)NCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-16-7-5-6-14(18)17-10-11-8-12(19-2)15(21-4)13(9-11)20-3/h8-9,16H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyFRZUUTCJWNRBGZ-UHFFFAOYSA-N
XLogP1.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.33
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-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119763447
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119731406
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
7-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]heptanamide
CID 119764855
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-propan-2-yl-3-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanamide
CID 55769134

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide (CID 61273980) is 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is CNCCCC(=O)NCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
The InChIKey is FRZUUTCJWNRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-16-7-5-6-14(18)17-10-11-8-12(19-2)15(21-4)13(9-11)20-3/h8-9,16H,5-7,10H2,1-4H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide?
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide has a molecular weight of 296.37 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 61273980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).