1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea

C24H29N3O — CID 44628003

IUPAC1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc13
InChIInChI=1S/C24H29N3O/c1-27-14-13-24-12-6-5-9-20(24)22(27)15-17-10-11-19(16-21(17)24)26-23(28)25-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,20,22H,5-6,9,12-15H2,1H3,(H2,25,26,28)/t20-,22+,24+/m0/s1
InChIKeyCVZRQQXQPKBKNJ-BGWNEDDSSA-N
MW375.52 g/mol
LogP5.02
Rot. Bonds2

About 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea

1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea (PubChem CID 44628003) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea
PubChem CID44628003
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea
SMILESCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc13
InChIInChI=1S/C24H29N3O/c1-27-14-13-24-12-6-5-9-20(24)22(27)15-17-10-11-19(16-21(17)24)26-23(28)25-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,20,22H,5-6,9,12-15H2,1H3,(H2,25,26,28)/t20-,22+,24+/m0/s1
InChIKeyCVZRQQXQPKBKNJ-BGWNEDDSSA-N
XLogP5.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,9R,10R)-17-(cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]urea
CID 44429062
N-Benzyl-17-(cyclopropylmethyl)morphinan-3-amine
CID 44627790
17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine
CID 44627900
3-methylurea-N-cyclobutylmethylmorphinan
CID 44429064
Formamide, N-[(2R,6R,11R)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-yl]-
CID 20836691
N-[(1R,9R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
CID 23519701
N-[(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
CID 44300216
N-(2,3-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3840885
N-(1-Naphthyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 2901712
[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]urea
CID 44429063
1-[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-methylurea
CID 44429065
N-(4-Iodophenyl)-N''-(17-methylmorphinan-3-yl)urea
CID 44626534

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea?
The IUPAC name of 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea (CID 44628003) is 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea?
The canonical SMILES for 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea is CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc13.
What is the InChIKey of 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea?
The InChIKey is CVZRQQXQPKBKNJ-BGWNEDDSSA-N. The full InChI is InChI=1S/C24H29N3O/c1-27-14-13-24-12-6-5-9-20(24)22(27)15-17-10-11-19(16-21(17)24)26-23(28)25-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,20,22H,5-6,9,12-15H2,1H3,(H2,25,26,28)/t20-,22+,24+/m0/s1.
What are the key properties of 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea?
1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea has a molecular weight of 375.52 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-phenylurea is sourced from PubChem (CID 44628003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).