1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide

C20H33N3O — CID 119898241

IUPAC1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCCCCN(CC)Cc1cccc(CNC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C20H33N3O/c1-3-5-13-23(4-2)16-18-10-8-9-17(14-18)15-22-19(24)20(21)11-6-7-12-20/h8-10,14H,3-7,11-13,15-16,21H2,1-2H3,(H,22,24)
InChIKeyVNPYYPWFUJEBOI-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.20
Rot. Bonds9

About 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119898241) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119898241
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCCCCN(CC)Cc1cccc(CNC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C20H33N3O/c1-3-5-13-23(4-2)16-18-10-8-9-17(14-18)15-22-19(24)20(21)11-6-7-12-20/h8-10,14H,3-7,11-13,15-16,21H2,1-2H3,(H,22,24)
InChIKeyVNPYYPWFUJEBOI-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]acetamide
CID 119898247
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836114
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171767
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide (CID 119898241) is 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide is CCCCN(CC)Cc1cccc(CNC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is VNPYYPWFUJEBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-5-13-23(4-2)16-18-10-8-9-17(14-18)15-22-19(24)20(21)11-6-7-12-20/h8-10,14H,3-7,11-13,15-16,21H2,1-2H3,(H,22,24).
What are the key properties of 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 331.50 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[[butyl(ethyl)amino]methyl]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119898241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).