1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea

C20H24N2O3 — CID 87009003

IUPAC1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)N(Cc2cccc(C)c2)C2CC2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-14-5-4-6-15(11-14)13-22(17-8-9-17)20(23)21-16-7-10-18(24-2)19(12-16)25-3/h4-7,10-12,17H,8-9,13H2,1-3H3,(H,21,23)
InChIKeyPYHODPPSJBVZHH-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.21
Rot. Bonds6

About 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea

1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea (PubChem CID 87009003) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea
PubChem CID87009003
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)N(Cc2cccc(C)c2)C2CC2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-14-5-4-6-15(11-14)13-22(17-8-9-17)20(23)21-16-7-10-18(24-2)19(12-16)25-3/h4-7,10-12,17H,8-9,13H2,1-3H3,(H,21,23)
InChIKeyPYHODPPSJBVZHH-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 87038989
2-[cyclopropyl-[(3-methylphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4575174
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 87009238
N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
5-[[cyclopropyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
CID 72934036
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 86891469

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea (CID 87009003) is 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea is COc1ccc(NC(=O)N(Cc2cccc(C)c2)C2CC2)cc1OC.
What is the InChIKey of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea?
The InChIKey is PYHODPPSJBVZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-5-4-6-15(11-14)13-22(17-8-9-17)20(23)21-16-7-10-18(24-2)19(12-16)25-3/h4-7,10-12,17H,8-9,13H2,1-3H3,(H,21,23).
What are the key properties of 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea?
1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea has a molecular weight of 340.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 87009003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).