2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide

C16H25N3O2 — CID 62007740

IUPAC2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2(CN)CCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(16(12-17)9-3-4-10-16)11-15(20)18-13-5-7-14(21-2)8-6-13/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20)
InChIKeyYTVBBKOGKIMZGA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.84
Rot. Bonds6

About 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 62007740) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID62007740
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2(CN)CCCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-19(16(12-17)9-3-4-10-16)11-15(20)18-13-5-7-14(21-2)8-6-13/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20)
InChIKeyYTVBBKOGKIMZGA-UHFFFAOYSA-N
XLogP1.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539
2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]-N-(4-methoxyphenyl)acetamide
CID 4501300
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
CID 4077070
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
2-cyclopentyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9438651
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 115638080
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 18171130

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 62007740) is 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)C2(CN)CCCC2)cc1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YTVBBKOGKIMZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19(16(12-17)9-3-4-10-16)11-15(20)18-13-5-7-14(21-2)8-6-13/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 62007740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).