N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide

C15H24N2O2 — CID 106242904

IUPACN-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCOCC(N)CCNC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-11-4-5-13(8-12(11)2)9-15(18)17-7-6-14(16)10-19-3/h4-5,8,14H,6-7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyUKOJTCQRJISQPY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.33
Rot. Bonds7

About N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide

N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 106242904) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID106242904
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
SMILESCOCC(N)CCNC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-11-4-5-13(8-12(11)2)9-15(18)17-7-6-14(16)10-19-3/h4-5,8,14H,6-7,9-10,16H2,1-3H3,(H,17,18)
InChIKeyUKOJTCQRJISQPY-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082
3-amino-1-(3,4-dimethylphenyl)-5-methoxypentan-2-one
CID 116567369
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
5-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682556
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide (CID 106242904) is N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide is COCC(N)CCNC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is UKOJTCQRJISQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-4-5-13(8-12(11)2)9-15(18)17-7-6-14(16)10-19-3/h4-5,8,14H,6-7,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide?
N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 106242904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).