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

C18H22N2O2 — CID 119320252

IUPAC4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)CCCN
InChIInChI=1S/C18H22N2O2/c1-14-7-2-4-9-16(14)22-17-10-5-3-8-15(17)13-20-18(21)11-6-12-19/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeyGBQJBPWKCGXIGR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds7

About 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide

4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide (PubChem CID 119320252) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
PubChem CID119320252
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)CCCN
InChIInChI=1S/C18H22N2O2/c1-14-7-2-4-9-16(14)22-17-10-5-3-8-15(17)13-20-18(21)11-6-12-19/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeyGBQJBPWKCGXIGR-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
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
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 120500571
1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119777807
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide (CID 119320252) is 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide is Cc1ccccc1Oc1ccccc1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
The InChIKey is GBQJBPWKCGXIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-7-2-4-9-16(14)22-17-10-5-3-8-15(17)13-20-18(21)11-6-12-19/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide?
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide has a molecular weight of 298.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 119320252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).