1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea

C24H32N2O2 — CID 14555244

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCCc2ccccc21
InChIInChI=1S/C24H32N2O2/c1-16(2)19-11-7-12-20(17(3)4)22(19)26-23(27)25-15-24(28)14-8-10-18-9-5-6-13-21(18)24/h5-7,9,11-13,16-17,28H,8,10,14-15H2,1-4H3,(H2,25,26,27)
InChIKeyBWMTYGJLJLEQSJ-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.28
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea (PubChem CID 14555244) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
PubChem CID14555244
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCCc2ccccc21
InChIInChI=1S/C24H32N2O2/c1-16(2)19-11-7-12-20(17(3)4)22(19)26-23(27)25-15-24(28)14-8-10-18-9-5-6-13-21(18)24/h5-7,9,11-13,16-17,28H,8,10,14-15H2,1-4H3,(H2,25,26,27)
InChIKeyBWMTYGJLJLEQSJ-UHFFFAOYSA-N
XLogP5.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea (CID 14555244) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCCc2ccccc21.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
The InChIKey is BWMTYGJLJLEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-16(2)19-11-7-12-20(17(3)4)22(19)26-23(27)25-15-24(28)14-8-10-18-9-5-6-13-21(18)24/h5-7,9,11-13,16-17,28H,8,10,14-15H2,1-4H3,(H2,25,26,27).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea has a molecular weight of 380.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea is sourced from PubChem (CID 14555244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).