1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea

C22H28N4O3 — CID 90490859

IUPAC1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
SMILESCOc1cc(NC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc(OC)c1
InChIInChI=1S/C22H28N4O3/c1-25(2)21(19-14-26(3)20-9-7-6-8-18(19)20)13-23-22(27)24-15-10-16(28-4)12-17(11-15)29-5/h6-12,14,21H,13H2,1-5H3,(H2,23,24,27)
InChIKeyURSTYBKBFYIPFQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.62
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea

1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea (PubChem CID 90490859) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
PubChem CID90490859
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
SMILESCOc1cc(NC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc(OC)c1
InChIInChI=1S/C22H28N4O3/c1-25(2)21(19-14-26(3)20-9-7-6-8-18(19)20)13-23-22(27)24-15-10-16(28-4)12-17(11-15)29-5/h6-12,14,21H,13H2,1-5H3,(H2,23,24,27)
InChIKeyURSTYBKBFYIPFQ-UHFFFAOYSA-N
XLogP3.62
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 71780355
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
1-(3-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 90490835
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801348
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 71780322

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea (CID 90490859) is 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea is COc1cc(NC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea?
The InChIKey is URSTYBKBFYIPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-25(2)21(19-14-26(3)20-9-7-6-8-18(19)20)13-23-22(27)24-15-10-16(28-4)12-17(11-15)29-5/h6-12,14,21H,13H2,1-5H3,(H2,23,24,27).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea?
1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea has a molecular weight of 396.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea is sourced from PubChem (CID 90490859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).