4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide

C15H24N2O2 — CID 115155352

IUPAC4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCc1ccc(OC)c(CN(C)C(=O)CCCN)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-7-8-14(19-3)13(10-12)11-17(2)15(18)6-5-9-16/h7-8,10H,4-6,9,11,16H2,1-3H3
InChIKeyFJZVCYRCMZCERI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds7

About 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide

4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 115155352) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
PubChem CID115155352
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCc1ccc(OC)c(CN(C)C(=O)CCCN)c1
InChIInChI=1S/C15H24N2O2/c1-4-12-7-8-14(19-3)13(10-12)11-17(2)15(18)6-5-9-16/h7-8,10H,4-6,9,11,16H2,1-3H3
InChIKeyFJZVCYRCMZCERI-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-3-(methylamino)propanamide
CID 115153278
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
4-amino-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylbutanamide
CID 115155334
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
4-amino-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methylbutanamide
CID 119333284
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide (CID 115155352) is 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide is CCc1ccc(OC)c(CN(C)C(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is FJZVCYRCMZCERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12-7-8-14(19-3)13(10-12)11-17(2)15(18)6-5-9-16/h7-8,10H,4-6,9,11,16H2,1-3H3.
What are the key properties of 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide?
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 115155352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).