1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea

C17H24N2O3 — CID 111455542

IUPAC1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea
SMILESCc1c(CNC(=O)NCC(C)CC(C)O)oc2ccccc12
InChIInChI=1S/C17H24N2O3/c1-11(8-12(2)20)9-18-17(21)19-10-16-13(3)14-6-4-5-7-15(14)22-16/h4-7,11-12,20H,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyDRAIHVIQBAGQTC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.95
Rot. Bonds6

About 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea

1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea (PubChem CID 111455542) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea
PubChem CID111455542
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea
SMILESCc1c(CNC(=O)NCC(C)CC(C)O)oc2ccccc12
InChIInChI=1S/C17H24N2O3/c1-11(8-12(2)20)9-18-17(21)19-10-16-13(3)14-6-4-5-7-15(14)22-16/h4-7,11-12,20H,8-10H2,1-3H3,(H2,18,19,21)
InChIKeyDRAIHVIQBAGQTC-UHFFFAOYSA-N
XLogP2.95
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea with MolForge

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Related Compounds

1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86960098
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
N,N-dimethyl-2-[[[(3-methyl-1-benzofuran-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 119160448
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
2-methyl-N-[4-[[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]methyl]phenyl]propanamide
CID 111602493
1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454390
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86960076
1-(4-hydroxy-2-methylpentyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111454154
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
1-(4-hydroxy-2-methylpentyl)-3-(2-phenylsulfanylpropyl)urea
CID 111508843

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea (CID 111455542) is 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea is Cc1c(CNC(=O)NCC(C)CC(C)O)oc2ccccc12.
What is the InChIKey of 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea?
The InChIKey is DRAIHVIQBAGQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(8-12(2)20)9-18-17(21)19-10-16-13(3)14-6-4-5-7-15(14)22-16/h4-7,11-12,20H,8-10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea?
1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea is sourced from PubChem (CID 111455542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).