5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide

C21H26N2O3 — CID 120630970

IUPAC5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(N)ccc2C)cc1OC1CCCC1
InChIInChI=1S/C21H26N2O3/c1-14-7-9-16(22)12-18(14)21(24)23-13-15-8-10-19(25-2)20(11-15)26-17-5-3-4-6-17/h7-12,17H,3-6,13,22H2,1-2H3,(H,23,24)
InChIKeyVHKOGGMMNPKLHL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.84
Rot. Bonds6

About 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide

5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide (PubChem CID 120630970) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide
PubChem CID120630970
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(N)ccc2C)cc1OC1CCCC1
InChIInChI=1S/C21H26N2O3/c1-14-7-9-16(22)12-18(14)21(24)23-13-15-8-10-19(25-2)20(11-15)26-17-5-3-4-6-17/h7-12,17H,3-6,13,22H2,1-2H3,(H,23,24)
InChIKeyVHKOGGMMNPKLHL-UHFFFAOYSA-N
XLogP3.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
3-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774714
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
ethyl 1-[N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156455
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47041805
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956533
5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
CID 120633106
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
CID 166237399

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide (CID 120630970) is 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide is COc1ccc(CNC(=O)c2cc(N)ccc2C)cc1OC1CCCC1.
What is the InChIKey of 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide?
The InChIKey is VHKOGGMMNPKLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-7-9-16(22)12-18(14)21(24)23-13-15-8-10-19(25-2)20(11-15)26-17-5-3-4-6-17/h7-12,17H,3-6,13,22H2,1-2H3,(H,23,24).
What are the key properties of 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide?
5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 120630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).