phenylmethoxy(2-phenylmethoxyethyl)carbamic acid

C17H19NO4 — CID 142651909

IUPACphenylmethoxy(2-phenylmethoxyethyl)carbamic acid
SMILESO=C(O)N(CCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO4/c19-17(20)18(22-14-16-9-5-2-6-10-16)11-12-21-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20)
InChIKeyVPBMHPMTXQPHPX-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.32
Rot. Bonds8

About phenylmethoxy(2-phenylmethoxyethyl)carbamic acid

phenylmethoxy(2-phenylmethoxyethyl)carbamic acid (PubChem CID 142651909) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is phenylmethoxy(2-phenylmethoxyethyl)carbamic acid.

Molecular Properties

Compound Namephenylmethoxy(2-phenylmethoxyethyl)carbamic acid
PubChem CID142651909
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namephenylmethoxy(2-phenylmethoxyethyl)carbamic acid
SMILESO=C(O)N(CCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO4/c19-17(20)18(22-14-16-9-5-2-6-10-16)11-12-21-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20)
InChIKeyVPBMHPMTXQPHPX-UHFFFAOYSA-N
XLogP3.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1-phenylmethoxyurea
CID 22444379
2-[methyl(2-phenylmethoxyethyl)amino]propanamide
CID 130767373
1-phenyl-4-phenylmethoxybutan-2-one
CID 134894703
2-methoxy-N-methyl-N-(2-phenylmethoxyethyl)acetamide
CID 130767377
[2-(benzenecarbonothioyloxy)-2-oxoethyl]-phenylmethoxycarbamic acid
CID 90877374
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
aminomethyl 2-phenylmethoxyethyl carbonate
CID 134483943
acetic acid;phenylmethoxymethylbenzene
CID 175214238
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333

Frequently Asked Questions

What is the IUPAC name of phenylmethoxy(2-phenylmethoxyethyl)carbamic acid?
The IUPAC name of phenylmethoxy(2-phenylmethoxyethyl)carbamic acid (CID 142651909) is phenylmethoxy(2-phenylmethoxyethyl)carbamic acid.
What is the SMILES notation for phenylmethoxy(2-phenylmethoxyethyl)carbamic acid?
The canonical SMILES for phenylmethoxy(2-phenylmethoxyethyl)carbamic acid is O=C(O)N(CCOCc1ccccc1)OCc1ccccc1.
What is the InChIKey of phenylmethoxy(2-phenylmethoxyethyl)carbamic acid?
The InChIKey is VPBMHPMTXQPHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c19-17(20)18(22-14-16-9-5-2-6-10-16)11-12-21-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,20).
What are the key properties of phenylmethoxy(2-phenylmethoxyethyl)carbamic acid?
phenylmethoxy(2-phenylmethoxyethyl)carbamic acid has a molecular weight of 301.34 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxy(2-phenylmethoxyethyl)carbamic acid is sourced from PubChem (CID 142651909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).