1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea

C19H29N3O3 — CID 95333729

IUPAC1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-19(2,22-8-10-25-11-9-22)13-20-18(23)21-16-12-15(16)14-6-4-5-7-17(14)24-3/h4-7,15-16H,8-13H2,1-3H3,(H2,20,21,23)/t15-,16+/m0/s1
InChIKeyPOOAXMAKKUWCCL-JKSUJKDBSA-N
MW347.46 g/mol
LogP1.96
Rot. Bonds6

About 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea

1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (PubChem CID 95333729) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
PubChem CID95333729
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCOc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-19(2,22-8-10-25-11-9-22)13-20-18(23)21-16-12-15(16)14-6-4-5-7-17(14)24-3/h4-7,15-16H,8-13H2,1-3H3,(H2,20,21,23)/t15-,16+/m0/s1
InChIKeyPOOAXMAKKUWCCL-JKSUJKDBSA-N
XLogP1.96
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)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-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 124734117
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057
tert-butyl N-[3-[[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331056
(2R)-N-tert-butyl-2-[[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]carbamoylamino]propanamide
CID 98756379
2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518
2,5-dimethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51175190
1-[2-(2-methoxyphenyl)propyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315569
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95277861
1-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95277862
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea (CID 95333729) is 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The InChIKey is POOAXMAKKUWCCL-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,22-8-10-25-11-9-22)13-20-18(23)21-16-12-15(16)14-6-4-5-7-17(14)24-3/h4-7,15-16H,8-13H2,1-3H3,(H2,20,21,23)/t15-,16+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea has a molecular weight of 347.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 95333729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).