N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide

C20H30N4O3 — CID 74232452

IUPACN,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCCCN1CC(NC(=O)Nc2ccc(C(=O)N(CC)CC)cc2C)CC1=O
InChIInChI=1S/C20H30N4O3/c1-5-10-24-13-16(12-18(24)25)21-20(27)22-17-9-8-15(11-14(17)4)19(26)23(6-2)7-3/h8-9,11,16H,5-7,10,12-13H2,1-4H3,(H2,21,22,27)
InChIKeyOWQCWRSYXJNSLU-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.61
Rot. Bonds7

About N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide

N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide (PubChem CID 74232452) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide
PubChem CID74232452
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide
SMILESCCCN1CC(NC(=O)Nc2ccc(C(=O)N(CC)CC)cc2C)CC1=O
InChIInChI=1S/C20H30N4O3/c1-5-10-24-13-16(12-18(24)25)21-20(27)22-17-9-8-15(11-14(17)4)19(26)23(6-2)7-3/h8-9,11,16H,5-7,10,12-13H2,1-4H3,(H2,21,22,27)
InChIKeyOWQCWRSYXJNSLU-UHFFFAOYSA-N
XLogP2.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
CID 126446308
1-(2-methylphenyl)-3-[1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]urea
CID 175838371
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
CID 125157875
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
CID 125442731
4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 125447624
N-(4-bromo-2-methylphenyl)-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185762
N,N-diethyl-3-methyl-4-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzamide
CID 125176908
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(2,4-dimethylphenyl)urea
CID 18572740
4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131949418

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide?
The IUPAC name of N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide (CID 74232452) is N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide is CCCN1CC(NC(=O)Nc2ccc(C(=O)N(CC)CC)cc2C)CC1=O.
What is the InChIKey of N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide?
The InChIKey is OWQCWRSYXJNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-5-10-24-13-16(12-18(24)25)21-20(27)22-17-9-8-15(11-14(17)4)19(26)23(6-2)7-3/h8-9,11,16H,5-7,10,12-13H2,1-4H3,(H2,21,22,27).
What are the key properties of N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide?
N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide has a molecular weight of 374.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-4-[(5-oxo-1-propylpyrrolidin-3-yl)carbamoylamino]benzamide is sourced from PubChem (CID 74232452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).