4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride

C18H23ClN2O2 — CID 120558964

IUPAC4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
SMILESCc1cccc(Oc2ccccc2NC(=O)CCC(C)N)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-6-5-7-15(12-13)22-17-9-4-3-8-16(17)20-18(21)11-10-14(2)19;/h3-9,12,14H,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyOZQRQDRYKOXNIG-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.28
Rot. Bonds6

About 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride

4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride (PubChem CID 120558964) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
PubChem CID120558964
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
SMILESCc1cccc(Oc2ccccc2NC(=O)CCC(C)N)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-6-5-7-15(12-13)22-17-9-4-3-8-16(17)20-18(21)11-10-14(2)19;/h3-9,12,14H,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyOZQRQDRYKOXNIG-UHFFFAOYSA-N
XLogP4.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
2-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide
CID 119266448
2-[[(2S)-1-hydroxypentan-2-yl]amino]-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 59062971
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120561352
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride (CID 120558964) is 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride is Cc1cccc(Oc2ccccc2NC(=O)CCC(C)N)c1.Cl.
What is the InChIKey of 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride?
The InChIKey is OZQRQDRYKOXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13-6-5-7-15(12-13)22-17-9-4-3-8-16(17)20-18(21)11-10-14(2)19;/h3-9,12,14H,10-11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride?
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120558964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).