1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea

C17H23N3O3 — CID 126791651

IUPAC1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea
SMILESCOC1(CNC(=O)Nc2ccc3ccn(C)c3c2)CCOCC1
InChIInChI=1S/C17H23N3O3/c1-20-8-5-13-3-4-14(11-15(13)20)19-16(21)18-12-17(22-2)6-9-23-10-7-17/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H2,18,19,21)
InChIKeyKVJIBCLJIOZJDZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.50
Rot. Bonds4

About 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea

1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea (PubChem CID 126791651) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea.

Molecular Properties

Compound Name1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea
PubChem CID126791651
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea
SMILESCOC1(CNC(=O)Nc2ccc3ccn(C)c3c2)CCOCC1
InChIInChI=1S/C17H23N3O3/c1-20-8-5-13-3-4-14(11-15(13)20)19-16(21)18-12-17(22-2)6-9-23-10-7-17/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H2,18,19,21)
InChIKeyKVJIBCLJIOZJDZ-UHFFFAOYSA-N
XLogP2.50
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
CID 104762349
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-methylindol-6-yl)urea
CID 99819593
methyl 5-[(1-methylindol-6-yl)amino]-5-oxopentanoate
CID 75485035
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-methylindole-5-carboxamide
CID 71753531
1-[(4-methoxyoxan-4-yl)methyl]-3-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]urea
CID 126790172
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
N-[4-[2-[(4-methoxyoxan-4-yl)methylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420246
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1-methylindol-6-yl)oxamide
CID 166232426
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
N-[(4-methoxyoxan-4-yl)methyl]-3-naphthalen-2-yloxypropanamide
CID 166225273
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
3-methyl-1-[(1-methylindol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091024

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea?
The IUPAC name of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea (CID 126791651) is 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea.
What is the SMILES notation for 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea?
The canonical SMILES for 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea is COC1(CNC(=O)Nc2ccc3ccn(C)c3c2)CCOCC1.
What is the InChIKey of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea?
The InChIKey is KVJIBCLJIOZJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-20-8-5-13-3-4-14(11-15(13)20)19-16(21)18-12-17(22-2)6-9-23-10-7-17/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea?
1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea has a molecular weight of 317.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylindol-6-yl)urea is sourced from PubChem (CID 126791651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).