1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide

C17H25N3O2 — CID 119568500

IUPAC1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-3-20(2)16(22)14-8-6-7-13(11-14)15(21)19-17(12-18)9-4-5-10-17/h6-8,11H,3-5,9-10,12,18H2,1-2H3,(H,19,21)
InChIKeyVLCYFKNOKFMQPT-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.78
Rot. Bonds5

About 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide

1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 119568500) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID119568500
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-3-20(2)16(22)14-8-6-7-13(11-14)15(21)19-17(12-18)9-4-5-10-17/h6-8,11H,3-5,9-10,12,18H2,1-2H3,(H,19,21)
InChIKeyVLCYFKNOKFMQPT-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
1-N-[1-(hydroxymethyl)cyclopentyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110008531
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(aminomethyl)cyclopentyl]-3-methylsulfonylbenzamide
CID 63753605
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119565780
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119567704
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119576009
N,3-diethyl-N-methylbenzamide
CID 89250993
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide (CID 119568500) is 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NC2(CN)CCCC2)c1.
What is the InChIKey of 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is VLCYFKNOKFMQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-20(2)16(22)14-8-6-7-13(11-14)15(21)19-17(12-18)9-4-5-10-17/h6-8,11H,3-5,9-10,12,18H2,1-2H3,(H,19,21).
What are the key properties of 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(aminomethyl)cyclopentyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119568500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).