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

C15H24N2O2 — CID 115187724

IUPACN-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)NCc1cccc(OC)c1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(10-16-3)15(18)17-9-12-6-5-7-13(8-12)19-4/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyGNNRAFUENFMUQW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.80
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide (PubChem CID 115187724) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
PubChem CID115187724
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)NCc1cccc(OC)c1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(10-16-3)15(18)17-9-12-6-5-7-13(8-12)19-4/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18)
InChIKeyGNNRAFUENFMUQW-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

N-[(4-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187709
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723323
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 947246
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 3603166
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide (CID 115187724) is N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide is CNCC(C(=O)NCc1cccc(OC)c1)C(C)C.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
The InChIKey is GNNRAFUENFMUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)14(10-16-3)15(18)17-9-12-6-5-7-13(8-12)19-4/h5-8,11,14,16H,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide?
N-[(3-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-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115187724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).