1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea

C16H22N4O3 — CID 75398712

IUPAC1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C16H22N4O3/c1-3-17-16(23)19(2)18-15(22)13-9-14(21)20(11-13)10-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyGSWDBTNRIDJKDI-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.73
Rot. Bonds4

About 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea

1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea (PubChem CID 75398712) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea.

Molecular Properties

Compound Name1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
PubChem CID75398712
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
SMILESCCNC(=O)N(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C16H22N4O3/c1-3-17-16(23)19(2)18-15(22)13-9-14(21)20(11-13)10-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyGSWDBTNRIDJKDI-UHFFFAOYSA-N
XLogP0.73
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
N-[3-(aminomethyl)pentan-3-yl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119570033
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
N-(2-amino-2-ethylbutyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119641392
1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4782295
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621
(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 36903548
(3S)-1-benzyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7830959

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea?
The IUPAC name of 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea (CID 75398712) is 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea.
What is the SMILES notation for 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea?
The canonical SMILES for 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea is CCNC(=O)N(C)NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea?
The InChIKey is GSWDBTNRIDJKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-17-16(23)19(2)18-15(22)13-9-14(21)20(11-13)10-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,17,23)(H,18,22).
What are the key properties of 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea?
1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea has a molecular weight of 318.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea is sourced from PubChem (CID 75398712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).