1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea

C19H27N3O2 — CID 75500636

IUPAC1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea
SMILESCc1cccc(C(C)NC(=O)NCC2CC(=O)N(C3CC3)C2)c1C
InChIInChI=1S/C19H27N3O2/c1-12-5-4-6-17(13(12)2)14(3)21-19(24)20-10-15-9-18(23)22(11-15)16-7-8-16/h4-6,14-16H,7-11H2,1-3H3,(H2,20,21,24)
InChIKeyNDRSEVLZVTVEIT-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.67
Rot. Bonds5

About 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea (PubChem CID 75500636) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea
PubChem CID75500636
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea
SMILESCc1cccc(C(C)NC(=O)NCC2CC(=O)N(C3CC3)C2)c1C
InChIInChI=1S/C19H27N3O2/c1-12-5-4-6-17(13(12)2)14(3)21-19(24)20-10-15-9-18(23)22(11-15)16-7-8-16/h4-6,14-16H,7-11H2,1-3H3,(H2,20,21,24)
InChIKeyNDRSEVLZVTVEIT-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 75500633
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 138010415
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 172880485
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
2-bromo-N-[(2R)-1-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 97347306
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
CID 99820423
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methoxy-2-methylbenzamide
CID 125167592
1-[1-(2,3-dimethylphenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925077
1-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(4,7-dimethyl-2-oxochromen-6-yl)urea
CID 125172194

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea (CID 75500636) is 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea is Cc1cccc(C(C)NC(=O)NCC2CC(=O)N(C3CC3)C2)c1C.
What is the InChIKey of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea?
The InChIKey is NDRSEVLZVTVEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-5-4-6-17(13(12)2)14(3)21-19(24)20-10-15-9-18(23)22(11-15)16-7-8-16/h4-6,14-16H,7-11H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea?
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[1-(2,3-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 75500636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).