1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea

C23H30N4O3 — CID 86873596

IUPAC1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCCN(C)Cc1cccc(CNC(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)c1
InChIInChI=1S/C23H30N4O3/c1-4-26(2)16-18-8-5-7-17(13-18)15-24-23(29)25-19-10-11-21(30-3)20(14-19)27-12-6-9-22(27)28/h5,7-8,10-11,13-14H,4,6,9,12,15-16H2,1-3H3,(H2,24,25,29)
InChIKeyOUJFNXMNUICWQP-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.60
Rot. Bonds8

About 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea

1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 86873596) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID86873596
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCCN(C)Cc1cccc(CNC(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)c1
InChIInChI=1S/C23H30N4O3/c1-4-26(2)16-18-8-5-7-17(13-18)15-24-23(29)25-19-10-11-21(30-3)20(14-19)27-12-6-9-22(27)28/h5,7-8,10-11,13-14H,4,6,9,12,15-16H2,1-3H3,(H2,24,25,29)
InChIKeyOUJFNXMNUICWQP-UHFFFAOYSA-N
XLogP3.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55820823
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 55743390
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55743484
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94783824
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
1-(6-methoxy-3-pyridinyl)-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51116438
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 86873596) is 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea is CCN(C)Cc1cccc(CNC(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)c1.
What is the InChIKey of 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is OUJFNXMNUICWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-26(2)16-18-8-5-7-17(13-18)15-24-23(29)25-19-10-11-21(30-3)20(14-19)27-12-6-9-22(27)28/h5,7-8,10-11,13-14H,4,6,9,12,15-16H2,1-3H3,(H2,24,25,29).
What are the key properties of 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 410.52 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 86873596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).