1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide

C21H32N4O3 — CID 39948049

IUPAC1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C21H32N4O3/c1-4-25(5-2)18(26)16-24(3)19(27)21(13-9-10-14-21)23-20(28)22-15-17-11-7-6-8-12-17/h6-8,11-12H,4-5,9-10,13-16H2,1-3H3,(H2,22,23,28)
InChIKeyGTGPOSJQJGFHGX-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.13
Rot. Bonds8

About 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide

1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 39948049) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID39948049
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1
InChIInChI=1S/C21H32N4O3/c1-4-25(5-2)18(26)16-24(3)19(27)21(13-9-10-14-21)23-20(28)22-15-17-11-7-6-8-12-17/h6-8,11-12H,4-5,9-10,13-16H2,1-3H3,(H2,22,23,28)
InChIKeyGTGPOSJQJGFHGX-UHFFFAOYSA-N
XLogP2.13
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 46537087
N-(1,3-benzodioxol-5-ylmethyl)-1-(benzylcarbamoylamino)-N-methylcyclopentane-1-carboxamide
CID 55534687
1-(benzylcarbamoylamino)-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 46537645
1-(benzylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 55618250
1-(benzylcarbamoylamino)-N-methyl-N-pyrrolidin-3-ylcyclopentane-1-carboxamide;hydrochloride
CID 119549992
1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 16787443
N,N-diethyl-1-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]cyclohexane-1-carboxamide
CID 55980445
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
4-[(carbamoylamino)methyl]-N-[1-(diethylcarbamoyl)cyclohexyl]benzamide
CID 55979927
1-[(3-methylphenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162802
(2R)-2-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 119364123
2-(benzylamino)-N,N-diethylacetamide
CID 10857021

Frequently Asked Questions

What is the IUPAC name of 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide (CID 39948049) is 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide is CCN(CC)C(=O)CN(C)C(=O)C1(NC(=O)NCc2ccccc2)CCCC1.
What is the InChIKey of 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is GTGPOSJQJGFHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-4-25(5-2)18(26)16-24(3)19(27)21(13-9-10-14-21)23-20(28)22-15-17-11-7-6-8-12-17/h6-8,11-12H,4-5,9-10,13-16H2,1-3H3,(H2,22,23,28).
What are the key properties of 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide?
1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylcarbamoylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 39948049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).