1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea

C18H30N2O3 — CID 75387824

IUPAC1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea
SMILESCOc1ccc(C)cc1C(C)NC(=O)N(CC(C)(C)O)C(C)C
InChIInChI=1S/C18H30N2O3/c1-12(2)20(11-18(5,6)22)17(21)19-14(4)15-10-13(3)8-9-16(15)23-7/h8-10,12,14,22H,11H2,1-7H3,(H,19,21)
InChIKeyPQUIJDBPVAGYRF-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.26
Rot. Bonds6

About 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea

1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea (PubChem CID 75387824) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea
PubChem CID75387824
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea
SMILESCOc1ccc(C)cc1C(C)NC(=O)N(CC(C)(C)O)C(C)C
InChIInChI=1S/C18H30N2O3/c1-12(2)20(11-18(5,6)22)17(21)19-14(4)15-10-13(3)8-9-16(15)23-7/h8-10,12,14,22H,11H2,1-7H3,(H,19,21)
InChIKeyPQUIJDBPVAGYRF-UHFFFAOYSA-N
XLogP3.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea
CID 30273311
N-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630855
1-ethyl-3-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]thiourea
CID 9096213
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-methylbut-2-enamide
CID 47010076
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea (CID 75387824) is 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea is COc1ccc(C)cc1C(C)NC(=O)N(CC(C)(C)O)C(C)C.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea?
The InChIKey is PQUIJDBPVAGYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-12(2)20(11-18(5,6)22)17(21)19-14(4)15-10-13(3)8-9-16(15)23-7/h8-10,12,14,22H,11H2,1-7H3,(H,19,21).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea?
1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea has a molecular weight of 322.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 75387824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).