1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea

C22H27N3O3 — CID 127255329

IUPAC1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea
SMILESCOc1ccc(C(NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1OC
InChIInChI=1S/C22H27N3O3/c1-14(2)21(16-6-9-19(27-4)20(13-16)28-5)24-22(26)23-17-7-8-18-15(12-17)10-11-25(18)3/h6-14,21H,1-5H3,(H2,23,24,26)
InChIKeyPPUHFGFSQAYXTM-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.71
Rot. Bonds6

About 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea (PubChem CID 127255329) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea
PubChem CID127255329
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea
SMILESCOc1ccc(C(NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1OC
InChIInChI=1S/C22H27N3O3/c1-14(2)21(16-6-9-19(27-4)20(13-16)28-5)24-22(26)23-17-7-8-18-15(12-17)10-11-25(18)3/h6-14,21H,1-5H3,(H2,23,24,26)
InChIKeyPPUHFGFSQAYXTM-UHFFFAOYSA-N
XLogP4.71
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)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-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)urea
CID 121239700
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-5-yl)propanamide
CID 71840874
2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen
CID 143589369
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-5-yl)urea
CID 95312253
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
CID 82538657
N-[4-methoxy-3-[(2-methyl-1-phenylpropyl)carbamoylamino]phenyl]acetamide
CID 47033000
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
CID 110838398
N-(3,4-dimethoxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610764

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea (CID 127255329) is 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea is COc1ccc(C(NC(=O)Nc2ccc3c(ccn3C)c2)C(C)C)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea?
The InChIKey is PPUHFGFSQAYXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14(2)21(16-6-9-19(27-4)20(13-16)28-5)24-22(26)23-17-7-8-18-15(12-17)10-11-25(18)3/h6-14,21H,1-5H3,(H2,23,24,26).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea?
1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea has a molecular weight of 381.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea is sourced from PubChem (CID 127255329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).