1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea

C22H28N2O4 — CID 87038989

IUPAC1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(OC)c(CNC(=O)N(Cc2cccc(C)c2)C2CC2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-15-6-5-7-16(10-15)14-24(17-8-9-17)22(25)23-13-19-20(27-3)11-18(26-2)12-21(19)28-4/h5-7,10-12,17H,8-9,13-14H2,1-4H3,(H,23,25)
InChIKeyQKJLWNYKWFLKSJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.90
Rot. Bonds8

About 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea

1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea (PubChem CID 87038989) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea
PubChem CID87038989
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea
SMILESCOc1cc(OC)c(CNC(=O)N(Cc2cccc(C)c2)C2CC2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-15-6-5-7-16(10-15)14-24(17-8-9-17)22(25)23-13-19-20(27-3)11-18(26-2)12-21(19)28-4/h5-7,10-12,17H,8-9,13-14H2,1-4H3,(H,23,25)
InChIKeyQKJLWNYKWFLKSJ-UHFFFAOYSA-N
XLogP3.90
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]urea
CID 87009003
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 125437502
4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 86891469
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
1-[(4-bromophenyl)methyl]-1-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 60543799
4-[[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 122019601
1-(aminomethyl)-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 115452811
1-cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]urea
CID 108898085
1-N-(2,4-dimethoxyphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135389
N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3457406
1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 87009238
methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate
CID 86999434

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea (CID 87038989) is 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea is COc1cc(OC)c(CNC(=O)N(Cc2cccc(C)c2)C2CC2)c(OC)c1.
What is the InChIKey of 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
The InChIKey is QKJLWNYKWFLKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15-6-5-7-16(10-15)14-24(17-8-9-17)22(25)23-13-19-20(27-3)11-18(26-2)12-21(19)28-4/h5-7,10-12,17H,8-9,13-14H2,1-4H3,(H,23,25).
What are the key properties of 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea?
1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea has a molecular weight of 384.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea is sourced from PubChem (CID 87038989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).