1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea

C19H27N3O2 — CID 110013443

IUPAC1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)NCC(O)C(C)C)CC3
InChIInChI=1S/C19H27N3O2/c1-11(2)18(23)10-20-19(24)21-13-5-7-17-15(9-13)14-8-12(3)4-6-16(14)22-17/h4,6,8,11,13,18,22-23H,5,7,9-10H2,1-3H3,(H2,20,21,24)
InChIKeyVIYUIVRFNNDNBW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.65
Rot. Bonds4

About 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea

1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea (PubChem CID 110013443) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
PubChem CID110013443
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)NCC(O)C(C)C)CC3
InChIInChI=1S/C19H27N3O2/c1-11(2)18(23)10-20-19(24)21-13-5-7-17-15(9-13)14-8-12(3)4-6-16(14)22-17/h4,6,8,11,13,18,22-23H,5,7,9-10H2,1-3H3,(H2,20,21,24)
InChIKeyVIYUIVRFNNDNBW-UHFFFAOYSA-N
XLogP2.65
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
1-(furan-2-yl)-2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]ethanol
CID 110010184
2-methyl-1-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)amino]propan-2-ol
CID 110005257
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The IUPAC name of 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea (CID 110013443) is 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea is Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)NCC(O)C(C)C)CC3.
What is the InChIKey of 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
The InChIKey is VIYUIVRFNNDNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-11(2)18(23)10-20-19(24)21-13-5-7-17-15(9-13)14-8-12(3)4-6-16(14)22-17/h4,6,8,11,13,18,22-23H,5,7,9-10H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea?
1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea has a molecular weight of 329.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylbutyl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea is sourced from PubChem (CID 110013443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).