4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide

C15H21N3O2 — CID 47128703

IUPAC4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCCC1
InChIInChI=1S/C15H21N3O2/c1-18(13-4-2-3-5-13)14(19)12-8-6-11(7-9-12)10-17-15(16)20/h6-9,13H,2-5,10H2,1H3,(H3,16,17,20)
InChIKeyGRQZQCNXDIJCEL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.87
Rot. Bonds4

About 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide

4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide (PubChem CID 47128703) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
PubChem CID47128703
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCCC1
InChIInChI=1S/C15H21N3O2/c1-18(13-4-2-3-5-13)14(19)12-8-6-11(7-9-12)10-17-15(16)20/h6-9,13H,2-5,10H2,1H3,(H3,16,17,20)
InChIKeyGRQZQCNXDIJCEL-UHFFFAOYSA-N
XLogP1.87
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-4-iodo-N-methylbenzamide
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3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
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CID 11314234
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CID 63590526
N-cyclohexyl-N-methyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297905
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide (CID 47128703) is 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide is CN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCCC1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide?
The InChIKey is GRQZQCNXDIJCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(13-4-2-3-5-13)14(19)12-8-6-11(7-9-12)10-17-15(16)20/h6-9,13H,2-5,10H2,1H3,(H3,16,17,20).
What are the key properties of 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide?
4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide is sourced from PubChem (CID 47128703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).