1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea

C25H26N2O4 — CID 57015699

IUPAC1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c26-25(28)27(29)15-21-13-22(21)20-11-12-23(30-16-18-7-3-1-4-8-18)24(14-20)31-17-19-9-5-2-6-10-19/h1-12,14,21-22,29H,13,15-17H2,(H2,26,28)
InChIKeyKFPRKXSJITXJKW-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.72
Rot. Bonds9

About 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea

1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea (PubChem CID 57015699) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea
PubChem CID57015699
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O4/c26-25(28)27(29)15-21-13-22(21)20-11-12-23(30-16-18-7-3-1-4-8-18)24(14-20)31-17-19-9-5-2-6-10-19/h1-12,14,21-22,29H,13,15-17H2,(H2,26,28)
InChIKeyKFPRKXSJITXJKW-UHFFFAOYSA-N
XLogP4.72
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
(2R)-2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 70401187
5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
CID 126507338
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1192679
1-[[(1R,2R)-2-(1-benzofuran-2-yl)cyclopropyl]methyl]-1-hydroxyurea
CID 18646331
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
CID 134951203
5-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]pentanamide
CID 67114740
ethyl (4R)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7121538
ethyl (4S)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7121539
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
dimethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4607750

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea (CID 57015699) is 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea is NC(=O)N(O)CC1CC1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea?
The InChIKey is KFPRKXSJITXJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c26-25(28)27(29)15-21-13-22(21)20-11-12-23(30-16-18-7-3-1-4-8-18)24(14-20)31-17-19-9-5-2-6-10-19/h1-12,14,21-22,29H,13,15-17H2,(H2,26,28).
What are the key properties of 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea?
1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea has a molecular weight of 418.49 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3,4-bis(phenylmethoxy)phenyl]cyclopropyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 57015699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).