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

C19H24N2O2 — CID 120562424

IUPAC4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)CCC(C)N
InChIInChI=1S/C19H24N2O2/c1-14-7-3-5-9-17(14)23-18-10-6-4-8-16(18)13-21-19(22)12-11-15(2)20/h3-10,15H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyUWNVJBMWGKEXCM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.53
Rot. Bonds7

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

4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide (PubChem CID 120562424) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
PubChem CID120562424
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
SMILESCc1ccccc1Oc1ccccc1CNC(=O)CCC(C)N
InChIInChI=1S/C19H24N2O2/c1-14-7-3-5-9-17(14)23-18-10-6-4-8-16(18)13-21-19(22)12-11-15(2)20/h3-10,15H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyUWNVJBMWGKEXCM-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777822
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 120500571
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119777807
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
4-amino-N-[(2-ethoxy-4-methylphenyl)methyl]pentanamide
CID 120563690
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide?
The IUPAC name of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide (CID 120562424) is 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide?
The canonical SMILES for 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide is Cc1ccccc1Oc1ccccc1CNC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide?
The InChIKey is UWNVJBMWGKEXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-3-5-9-17(14)23-18-10-6-4-8-16(18)13-21-19(22)12-11-15(2)20/h3-10,15H,11-13,20H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide?
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide has a molecular weight of 312.41 g/mol, XLogP of 3.53, 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]pentanamide is sourced from PubChem (CID 120562424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).