4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride

C20H27ClN2O2 — CID 120562273

IUPAC4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
SMILESCc1cccc(COc2ccc(NC(=O)CCC(C)N)c(C)c2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-5-4-6-17(11-14)13-24-18-8-9-19(15(2)12-18)22-20(23)10-7-16(3)21;/h4-6,8-9,11-12,16H,7,10,13,21H2,1-3H3,(H,22,23);1H
InChIKeyVHFYQEMCQKARLI-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.37
Rot. Bonds7

About 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride

4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride (PubChem CID 120562273) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
PubChem CID120562273
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
SMILESCc1cccc(COc2ccc(NC(=O)CCC(C)N)c(C)c2)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-14-5-4-6-17(11-14)13-24-18-8-9-19(15(2)12-18)22-20(23)10-7-16(3)21;/h4-6,8-9,11-12,16H,7,10,13,21H2,1-3H3,(H,22,23);1H
InChIKeyVHFYQEMCQKARLI-UHFFFAOYSA-N
XLogP4.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide
CID 119318002
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
1-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]urea
CID 131963954
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
CID 119773656
4-[[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673483
(3R)-3-hydroxy-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pyrrolidine-1-carboxamide
CID 111431674
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
(E)-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]-3-pyridin-4-ylprop-2-enamide
CID 166196615
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride (CID 120562273) is 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride is Cc1cccc(COc2ccc(NC(=O)CCC(C)N)c(C)c2)c1.Cl.
What is the InChIKey of 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride?
The InChIKey is VHFYQEMCQKARLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-14-5-4-6-17(11-14)13-24-18-8-9-19(15(2)12-18)22-20(23)10-7-16(3)21;/h4-6,8-9,11-12,16H,7,10,13,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride?
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.37, 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-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120562273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).