3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide

C19H24N2O2 — CID 120500571

IUPAC3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)C(C)C(C)N
InChIInChI=1S/C19H24N2O2/c1-13-8-4-6-10-17(13)23-18-11-7-5-9-16(18)12-21-19(22)14(2)15(3)20/h4-11,14-15H,12,20H2,1-3H3,(H,21,22)
InChIKeyIXIGPKWAYNTFSH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.39
Rot. Bonds6

About 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide

3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide (PubChem CID 120500571) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
PubChem CID120500571
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)C(C)C(C)N
InChIInChI=1S/C19H24N2O2/c1-13-8-4-6-10-17(13)23-18-11-7-5-9-16(18)12-21-19(22)14(2)15(3)20/h4-11,14-15H,12,20H2,1-3H3,(H,21,22)
InChIKeyIXIGPKWAYNTFSH-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
CID 120562424
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
CID 114332302
1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119777807
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
3-amino-2-methyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 120503036
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methylbutanamide
CID 120500978
3-amino-2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 120501924

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide (CID 120500571) is 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide is Cc1ccccc1Oc1ccccc1CNC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
The InChIKey is IXIGPKWAYNTFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-8-4-6-10-17(13)23-18-11-7-5-9-16(18)12-21-19(22)14(2)15(3)20/h4-11,14-15H,12,20H2,1-3H3,(H,21,22).
What are the key properties of 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide has a molecular weight of 312.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 120500571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).