1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea

C24H33N3O3 — CID 86943137

IUPAC1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC(c2cccc(C)c2)N2CCOCC2)c1
InChIInChI=1S/C24H33N3O3/c1-18-6-4-8-21(14-18)23(27-10-12-30-13-11-27)17-25-24(28)26-19(2)15-20-7-5-9-22(16-20)29-3/h4-9,14,16,19,23H,10-13,15,17H2,1-3H3,(H2,25,26,28)
InChIKeyAEXPFZGHITTZRE-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.31
Rot. Bonds8

About 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea

1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea (PubChem CID 86943137) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
PubChem CID86943137
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
SMILESCOc1cccc(CC(C)NC(=O)NCC(c2cccc(C)c2)N2CCOCC2)c1
InChIInChI=1S/C24H33N3O3/c1-18-6-4-8-21(14-18)23(27-10-12-30-13-11-27)17-25-24(28)26-19(2)15-20-7-5-9-22(16-20)29-3/h4-9,14,16,19,23H,10-13,15,17H2,1-3H3,(H2,25,26,28)
InChIKeyAEXPFZGHITTZRE-UHFFFAOYSA-N
XLogP3.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea with MolForge

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Related Compounds

1-[1-(3-methoxyphenyl)propan-2-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
CID 86943303
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
N'-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18589221
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
N-[(2S)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 30834684
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide
CID 44902864
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 60592573
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea (CID 86943137) is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea is COc1cccc(CC(C)NC(=O)NCC(c2cccc(C)c2)N2CCOCC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
The InChIKey is AEXPFZGHITTZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18-6-4-8-21(14-18)23(27-10-12-30-13-11-27)17-25-24(28)26-19(2)15-20-7-5-9-22(16-20)29-3/h4-9,14,16,19,23H,10-13,15,17H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea?
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea has a molecular weight of 411.55 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 86943137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).