1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea

C18H28N4O2 — CID 167749594

IUPAC1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CCC(NC(=O)Nc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C18H28N4O2/c1-14(2)22-7-6-16(13-22)20-18(23)19-15-4-3-5-17(12-15)21-8-10-24-11-9-21/h3-5,12,14,16H,6-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyDLPZSGAYUGKMOY-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.13
Rot. Bonds4

About 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea

1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 167749594) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID167749594
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CCC(NC(=O)Nc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C18H28N4O2/c1-14(2)22-7-6-16(13-22)20-18(23)19-15-4-3-5-17(12-15)21-8-10-24-11-9-21/h3-5,12,14,16H,6-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyDLPZSGAYUGKMOY-UHFFFAOYSA-N
XLogP2.13
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
CID 99592728
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666
N-methyl-3-[(1-phenylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 56782101
1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124742813
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
CID 52509642
(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylanilino)propanamide
CID 94643859
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea (CID 167749594) is 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea is CC(C)N1CCC(NC(=O)Nc2cccc(N3CCOCC3)c2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is DLPZSGAYUGKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)22-7-6-16(13-22)20-18(23)19-15-4-3-5-17(12-15)21-8-10-24-11-9-21/h3-5,12,14,16H,6-11,13H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea?
1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 332.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 167749594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).