N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide

C15H24N2O2 — CID 115187709

IUPACN-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)NCc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(10-16-3)15(18)17-9-12-5-7-13(19-4)8-6-12/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyKNMJEZKZZZFTAV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.80
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide

N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide (PubChem CID 115187709) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
PubChem CID115187709
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)NCc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(10-16-3)15(18)17-9-12-5-7-13(19-4)8-6-12/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyKNMJEZKZZZFTAV-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide (CID 115187709) is N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide is CNCC(C(=O)NCc1ccc(OC)cc1)C(C)C.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
The InChIKey is KNMJEZKZZZFTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)14(10-16-3)15(18)17-9-12-5-7-13(19-4)8-6-12/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115187709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).