1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

C20H25N3O2 — CID 78885927

IUPAC1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCN2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H25N3O2/c1-15-13-17-5-3-4-6-19(17)23(15)12-11-21-20(24)22-14-16-7-9-18(25-2)10-8-16/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyDPJNRHXYDATHJP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea

1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (PubChem CID 78885927) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
PubChem CID78885927
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
SMILESCOc1ccc(CNC(=O)NCCN2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H25N3O2/c1-15-13-17-5-3-4-6-19(17)23(15)12-11-21-20(24)22-14-16-7-9-18(25-2)10-8-16/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyDPJNRHXYDATHJP-UHFFFAOYSA-N
XLogP2.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599544
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
2-[(3-methoxyphenyl)methoxy]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599675
N,N-dimethyl-4-[[[N'-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]carbamimidoyl]amino]methyl]benzamide
CID 111873991
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111202882
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
1-cyano-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 60599448
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
1-(1,4-dioxan-2-ylmethyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 71936152
2-amino-2-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide;dihydrochloride
CID 119868382
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea (CID 78885927) is 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is COc1ccc(CNC(=O)NCCN2c3ccccc3CC2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
The InChIKey is DPJNRHXYDATHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-13-17-5-3-4-6-19(17)23(15)12-11-21-20(24)22-14-16-7-9-18(25-2)10-8-16/h3-10,15H,11-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea has a molecular weight of 339.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea is sourced from PubChem (CID 78885927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).