1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea

C22H21N3O2 — CID 30375844

IUPAC1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESCCN1C(=O)Cc2cc(NC(=O)NCc3cccc4ccccc34)ccc21
InChIInChI=1S/C22H21N3O2/c1-2-25-20-11-10-18(12-17(20)13-21(25)26)24-22(27)23-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-12H,2,13-14H2,1H3,(H2,23,24,27)
InChIKeyDNVRTTWJHBMKMJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.07
Rot. Bonds4

About 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea

1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 30375844) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID30375844
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea
SMILESCCN1C(=O)Cc2cc(NC(=O)NCc3cccc4ccccc34)ccc21
InChIInChI=1S/C22H21N3O2/c1-2-25-20-11-10-18(12-17(20)13-21(25)26)24-22(27)23-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-12H,2,13-14H2,1H3,(H2,23,24,27)
InChIKeyDNVRTTWJHBMKMJ-UHFFFAOYSA-N
XLogP4.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375770
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-thiophen-2-ylurea
CID 30375764
2-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzamide
CID 27639248
3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
1-(4-butoxyphenyl)-3-(1-ethyl-2-oxo-3H-indol-5-yl)urea
CID 30375820
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
1-(2-chlorophenyl)-N-(1-ethyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342474
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea (CID 30375844) is 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea is CCN1C(=O)Cc2cc(NC(=O)NCc3cccc4ccccc34)ccc21.
What is the InChIKey of 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is DNVRTTWJHBMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-25-20-11-10-18(12-17(20)13-21(25)26)24-22(27)23-14-16-8-5-7-15-6-3-4-9-19(15)16/h3-12H,2,13-14H2,1H3,(H2,23,24,27).
What are the key properties of 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea?
1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 359.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-oxo-3H-indol-5-yl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 30375844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).