1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

C19H21N3O2 — CID 18947306

IUPAC1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc2[nH]cc(CCNC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C19H21N3O2/c1-24-16-7-8-18-17(11-16)15(13-21-18)9-10-20-19(23)22-12-14-5-3-2-4-6-14/h2-8,11,13,21H,9-10,12H2,1H3,(H2,20,22,23)
InChIKeyYODJDQWLBBXMJD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.22
Rot. Bonds6

About 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea

1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea (PubChem CID 18947306) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
PubChem CID18947306
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
SMILESCOc1ccc2[nH]cc(CCNC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C19H21N3O2/c1-24-16-7-8-18-17(11-16)15(13-21-18)9-10-20-19(23)22-12-14-5-3-2-4-6-14/h2-8,11,13,21H,9-10,12H2,1H3,(H2,20,22,23)
InChIKeyYODJDQWLBBXMJD-UHFFFAOYSA-N
XLogP3.22
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 71692234
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea (CID 18947306) is 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea is COc1ccc2[nH]cc(CCNC(=O)NCc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
The InChIKey is YODJDQWLBBXMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-16-7-8-18-17(11-16)15(13-21-18)9-10-20-19(23)22-12-14-5-3-2-4-6-14/h2-8,11,13,21H,9-10,12H2,1H3,(H2,20,22,23).
What are the key properties of 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea?
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea has a molecular weight of 323.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 18947306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).