1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea

C23H29N3O2 — CID 69192973

IUPAC1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea
SMILESCOc1cccc(C)c1N(C(N)=O)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C23H29N3O2/c1-16-5-3-8-21(28-2)22(16)26(23(24)27)20-10-9-17-11-13-25(19-6-4-7-19)14-12-18(17)15-20/h3,5,8-10,15,19H,4,6-7,11-14H2,1-2H3,(H2,24,27)
InChIKeyDIJQWTNIMQVRRV-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea

1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea (PubChem CID 69192973) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea
PubChem CID69192973
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea
SMILESCOc1cccc(C)c1N(C(N)=O)c1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C23H29N3O2/c1-16-5-3-8-21(28-2)22(16)26(23(24)27)20-10-9-17-11-13-25(19-6-4-7-19)14-12-18(17)15-20/h3,5,8-10,15,19H,4,6-7,11-14H2,1-2H3,(H2,24,27)
InChIKeyDIJQWTNIMQVRRV-UHFFFAOYSA-N
XLogP4.17
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea with MolForge

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Related Compounds

1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-quinolin-8-ylurea
CID 69180417
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2,2,2-trifluoro-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87726298
3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
CID 58940727
1-cyano-1-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)urea
CID 87311391
3-cyclobutyl-10-methoxy-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 168943641
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 69183178
1-(4-cyclohexylpiperazin-1-yl)-2-[6-(4-methoxy-3-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 57420999
7-bromo-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine
CID 58277899
1-(4-cyclopentylpiperazin-1-yl)ethanone;7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 143540790
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-phenylpropan-1-one
CID 58277885
N-butyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67547921
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-2-carboxylic acid
CID 10246518

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea?
The IUPAC name of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea (CID 69192973) is 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea is COc1cccc(C)c1N(C(N)=O)c1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea?
The InChIKey is DIJQWTNIMQVRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-5-3-8-21(28-2)22(16)26(23(24)27)20-10-9-17-11-13-25(19-6-4-7-19)14-12-18(17)15-20/h3,5,8-10,15,19H,4,6-7,11-14H2,1-2H3,(H2,24,27).
What are the key properties of 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea?
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea has a molecular weight of 379.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(2-methoxy-6-methylphenyl)urea is sourced from PubChem (CID 69192973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).