[2-(3-butoxyphenyl)-1-phenylethyl] carbamate

C19H23NO3 — CID 69173726

IUPAC[2-(3-butoxyphenyl)-1-phenylethyl] carbamate
SMILESCCCCOc1cccc(CC(OC(N)=O)c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-2-3-12-22-17-11-7-8-15(13-17)14-18(23-19(20)21)16-9-5-4-6-10-16/h4-11,13,18H,2-3,12,14H2,1H3,(H2,20,21)
InChIKeyYBHXEVXAQWBZGQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.24
Rot. Bonds8

About [2-(3-butoxyphenyl)-1-phenylethyl] carbamate

[2-(3-butoxyphenyl)-1-phenylethyl] carbamate (PubChem CID 69173726) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(3-butoxyphenyl)-1-phenylethyl] carbamate.

Molecular Properties

Compound Name[2-(3-butoxyphenyl)-1-phenylethyl] carbamate
PubChem CID69173726
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[2-(3-butoxyphenyl)-1-phenylethyl] carbamate
SMILESCCCCOc1cccc(CC(OC(N)=O)c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-2-3-12-22-17-11-7-8-15(13-17)14-18(23-19(20)21)16-9-5-4-6-10-16/h4-11,13,18H,2-3,12,14H2,1H3,(H2,20,21)
InChIKeyYBHXEVXAQWBZGQ-UHFFFAOYSA-N
XLogP4.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.24
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

[2-(3-butoxyphenyl)-1-phenylethyl] N-tert-butylcarbamate
CID 90837763
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
methyl 2-amino-3-(3-pentoxyphenyl)propanoate
CID 170883873
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687022
1-(3-butoxyphenyl)butan-2-one
CID 82161239
3-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanoic acid
CID 22680332
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
2-(4-aminophenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951463
2-(3-octoxyphenyl)acetic acid
CID 11975056
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
4-(3-pentadecylphenoxy)butanamide
CID 22354511

Frequently Asked Questions

What is the IUPAC name of [2-(3-butoxyphenyl)-1-phenylethyl] carbamate?
The IUPAC name of [2-(3-butoxyphenyl)-1-phenylethyl] carbamate (CID 69173726) is [2-(3-butoxyphenyl)-1-phenylethyl] carbamate.
What is the SMILES notation for [2-(3-butoxyphenyl)-1-phenylethyl] carbamate?
The canonical SMILES for [2-(3-butoxyphenyl)-1-phenylethyl] carbamate is CCCCOc1cccc(CC(OC(N)=O)c2ccccc2)c1.
What is the InChIKey of [2-(3-butoxyphenyl)-1-phenylethyl] carbamate?
The InChIKey is YBHXEVXAQWBZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-3-12-22-17-11-7-8-15(13-17)14-18(23-19(20)21)16-9-5-4-6-10-16/h4-11,13,18H,2-3,12,14H2,1H3,(H2,20,21).
What are the key properties of [2-(3-butoxyphenyl)-1-phenylethyl] carbamate?
[2-(3-butoxyphenyl)-1-phenylethyl] carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-butoxyphenyl)-1-phenylethyl] carbamate is sourced from PubChem (CID 69173726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).