4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide

C16H26N2O4 — CID 119778871

IUPAC4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
SMILESCNCCCC(=O)NCCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H26N2O4/c1-17-8-5-6-16(19)18-9-7-13-14(21-3)10-12(20-2)11-15(13)22-4/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyAQAYMQQWQYNVSD-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.37
Rot. Bonds10

About 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide

4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide (PubChem CID 119778871) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
PubChem CID119778871
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
SMILESCNCCCC(=O)NCCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H26N2O4/c1-17-8-5-6-16(19)18-9-7-13-14(21-3)10-12(20-2)11-15(13)22-4/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyAQAYMQQWQYNVSD-UHFFFAOYSA-N
XLogP1.37
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.37
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

4-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119320840
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
N-methyl-5-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 65300910
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119820020
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide (CID 119778871) is 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide is CNCCCC(=O)NCCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide?
The InChIKey is AQAYMQQWQYNVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-17-8-5-6-16(19)18-9-7-13-14(21-3)10-12(20-2)11-15(13)22-4/h10-11,17H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide?
4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide has a molecular weight of 310.39 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 119778871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).