N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide

C15H24N2O2 — CID 108998624

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
SMILESCOc1ccc(CNC(=O)CNCCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)8-9-16-11-15(18)17-10-13-4-6-14(19-3)7-5-13/h4-7,12,16H,8-11H2,1-3H3,(H,17,18)
InChIKeyWQSZEZPMIFDKLH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide

N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide (PubChem CID 108998624) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
PubChem CID108998624
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
SMILESCOc1ccc(CNC(=O)CNCCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)8-9-16-11-15(18)17-10-13-4-6-14(19-3)7-5-13/h4-7,12,16H,8-11H2,1-3H3,(H,17,18)
InChIKeyWQSZEZPMIFDKLH-UHFFFAOYSA-N
XLogP1.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylbutylamino)acetamide
CID 109005309
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
2-(heptylamino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 54814460
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519933
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
6-N-[(4-methoxyphenyl)methyl]-2-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109098012
2-(butylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54815317

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide (CID 108998624) is N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide is COc1ccc(CNC(=O)CNCCC(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide?
The InChIKey is WQSZEZPMIFDKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)8-9-16-11-15(18)17-10-13-4-6-14(19-3)7-5-13/h4-7,12,16H,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide is sourced from PubChem (CID 108998624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).