1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea

C19H25N3O3 — CID 95130030

IUPAC1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
SMILESCc1cc([C@H](C)NC(=O)Nc2cccc(N3CCOCC3)c2)c(C)o1
InChIInChI=1S/C19H25N3O3/c1-13-11-18(15(3)25-13)14(2)20-19(23)21-16-5-4-6-17(12-16)22-7-9-24-10-8-22/h4-6,11-12,14H,7-10H2,1-3H3,(H2,20,21,23)/t14-/m0/s1
InChIKeyNPFBNQKDKDIXPU-AWEZNQCLSA-N
MW343.43 g/mol
LogP3.62
Rot. Bonds4

About 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea

1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea (PubChem CID 95130030) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
PubChem CID95130030
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
SMILESCc1cc([C@H](C)NC(=O)Nc2cccc(N3CCOCC3)c2)c(C)o1
InChIInChI=1S/C19H25N3O3/c1-13-11-18(15(3)25-13)14(2)20-19(23)21-16-5-4-6-17(12-16)22-7-9-24-10-8-22/h4-6,11-12,14H,7-10H2,1-3H3,(H2,20,21,23)/t14-/m0/s1
InChIKeyNPFBNQKDKDIXPU-AWEZNQCLSA-N
XLogP3.62
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60942943
1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
CID 52509642
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 167749594
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 167878865
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 48681572
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
CID 99592728
1-[(2-methyl-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylphenyl)urea
CID 119046042

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea (CID 95130030) is 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea is Cc1cc([C@H](C)NC(=O)Nc2cccc(N3CCOCC3)c2)c(C)o1.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea?
The InChIKey is NPFBNQKDKDIXPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-11-18(15(3)25-13)14(2)20-19(23)21-16-5-4-6-17(12-16)22-7-9-24-10-8-22/h4-6,11-12,14H,7-10H2,1-3H3,(H2,20,21,23)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea?
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea has a molecular weight of 343.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 95130030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).