(4-nonoxyphenyl)methyl carbamate

C17H27NO3 — CID 154021041

IUPAC(4-nonoxyphenyl)methyl carbamate
SMILESCCCCCCCCCOc1ccc(COC(N)=O)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-13-20-16-11-9-15(10-12-16)14-21-17(18)19/h9-12H,2-8,13-14H2,1H3,(H2,18,19)
InChIKeyUKFIOJOEPKQKNU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.41
Rot. Bonds11

About (4-nonoxyphenyl)methyl carbamate

(4-nonoxyphenyl)methyl carbamate (PubChem CID 154021041) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-nonoxyphenyl)methyl carbamate.

Molecular Properties

Compound Name(4-nonoxyphenyl)methyl carbamate
PubChem CID154021041
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(4-nonoxyphenyl)methyl carbamate
SMILESCCCCCCCCCOc1ccc(COC(N)=O)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-13-20-16-11-9-15(10-12-16)14-21-17(18)19/h9-12H,2-8,13-14H2,1H3,(H2,18,19)
InChIKeyUKFIOJOEPKQKNU-UHFFFAOYSA-N
XLogP4.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-butoxyphenyl)methyl] oxalate
CID 23367588
bis[(4-butoxyphenyl)methyl] carbonate
CID 54373584
4-[(4-octoxyphenyl)methoxy]benzoic acid
CID 57070929
bis[[4-(4-decoxybenzoyl)oxyphenyl]methyl] propanedioate
CID 43836098
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
ethyl 2-(4-hexoxyphenyl)acetate
CID 19797927
[4-[(4-methoxyphenyl)methoxycarbonyl]phenyl] 4-decoxybenzoate
CID 102503307
(4-decoxyphenyl)methanamine
CID 55187501
1-hexoxy-4-(2-methoxyethoxymethyl)benzene
CID 90322136
4-octadecoxyphenol
CID 22179059
2-(4-pentoxyphenyl)acetate
CID 7009494

Frequently Asked Questions

What is the IUPAC name of (4-nonoxyphenyl)methyl carbamate?
The IUPAC name of (4-nonoxyphenyl)methyl carbamate (CID 154021041) is (4-nonoxyphenyl)methyl carbamate.
What is the SMILES notation for (4-nonoxyphenyl)methyl carbamate?
The canonical SMILES for (4-nonoxyphenyl)methyl carbamate is CCCCCCCCCOc1ccc(COC(N)=O)cc1.
What is the InChIKey of (4-nonoxyphenyl)methyl carbamate?
The InChIKey is UKFIOJOEPKQKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-13-20-16-11-9-15(10-12-16)14-21-17(18)19/h9-12H,2-8,13-14H2,1H3,(H2,18,19).
What are the key properties of (4-nonoxyphenyl)methyl carbamate?
(4-nonoxyphenyl)methyl carbamate has a molecular weight of 293.41 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nonoxyphenyl)methyl carbamate is sourced from PubChem (CID 154021041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).