[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid

C13H19NO5 — CID 170306694

IUPAC[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
SMILESCOCCOCCOc1ccc(CNC(=O)O)cc1
InChIInChI=1S/C13H19NO5/c1-17-6-7-18-8-9-19-12-4-2-11(3-5-12)10-14-13(15)16/h2-5,14H,6-10H2,1H3,(H,15,16)
InChIKeyDQVPUPBMQHTSBA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.50
Rot. Bonds9

About [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid

[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid (PubChem CID 170306694) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
PubChem CID170306694
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
SMILESCOCCOCCOc1ccc(CNC(=O)O)cc1
InChIInChI=1S/C13H19NO5/c1-17-6-7-18-8-9-19-12-4-2-11(3-5-12)10-14-13(15)16/h2-5,14H,6-10H2,1H3,(H,15,16)
InChIKeyDQVPUPBMQHTSBA-UHFFFAOYSA-N
XLogP1.50
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethylcarbamic acid
CID 135240470
1-tert-butyl-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 110774966
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
CID 48502857
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55662715
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
4-[[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20985014
2-(cyclopropylmethylamino)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 119723266

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid?
The IUPAC name of [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid (CID 170306694) is [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid is COCCOCCOc1ccc(CNC(=O)O)cc1.
What is the InChIKey of [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid?
The InChIKey is DQVPUPBMQHTSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-17-6-7-18-8-9-19-12-4-2-11(3-5-12)10-14-13(15)16/h2-5,14H,6-10H2,1H3,(H,15,16).
What are the key properties of [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid?
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid has a molecular weight of 269.30 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid is sourced from PubChem (CID 170306694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).