1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea

C23H34N2O2 — CID 46232505

IUPAC1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea
SMILESCCCCCc1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
InChIInChI=1S/C23H34N2O2/c1-6-7-8-9-16-13-19(25-22(26)24-5)21-17-12-15(2)10-11-18(17)23(3,4)27-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3,(H2,24,25,26)/t17-,18-/m1/s1
InChIKeyRKDIXFVBQQPLOX-QZTJIDSGSA-N
MW370.54 g/mol
LogP5.78
Rot. Bonds5

About 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea

1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea (PubChem CID 46232505) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea
PubChem CID46232505
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea
SMILESCCCCCc1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
InChIInChI=1S/C23H34N2O2/c1-6-7-8-9-16-13-19(25-22(26)24-5)21-17-12-15(2)10-11-18(17)23(3,4)27-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3,(H2,24,25,26)/t17-,18-/m1/s1
InChIKeyRKDIXFVBQQPLOX-QZTJIDSGSA-N
XLogP5.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea 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

(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-amine
CID 46232431
(6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-amine
CID 46232610
N-((6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)acetamide
CID 46232611
1-[(6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea
CID 46232612
4-(2-ethylbutyl)-4-hydroxy-N-(3-methyl-5-phenoxyphenyl)piperidine-1-carboxamide
CID 118728423
4-(2-ethylbutyl)-4-hydroxy-N-[3-(2-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 23072092
methyl(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ylcarbamate
CID 46232433
N-((6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl)acetamide
CID 46232506
4-(2-ethylbutyl)-4-hydroxy-N-[3-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 118727601
1-(6-Fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methylphenyl)urea
CID 11493614
1-(6-Fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methylphenyl)urea
CID 11674299
1-(6-Fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methoxyphenyl)urea
CID 11674594

Frequently Asked Questions

What is the IUPAC name of 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea?
The IUPAC name of 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea (CID 46232505) is 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea.
What is the SMILES notation for 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea?
The canonical SMILES for 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea is CCCCCc1cc(NC(=O)NC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21.
What is the InChIKey of 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea?
The InChIKey is RKDIXFVBQQPLOX-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-6-7-8-9-16-13-19(25-22(26)24-5)21-17-12-15(2)10-11-18(17)23(3,4)27-20(21)14-16/h12-14,17-18H,6-11H2,1-5H3,(H2,24,25,26)/t17-,18-/m1/s1.
What are the key properties of 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea?
1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea has a molecular weight of 370.54 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl]-3-methylurea is sourced from PubChem (CID 46232505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).