3-phenylpropyl N-(4-methoxyphenyl)carbamate

C17H19NO3 — CID 102129676

IUPAC3-phenylpropyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-16-11-9-15(10-12-16)18-17(19)21-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,18,19)
InChIKeyWGIKDANMEKSRIB-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.88
Rot. Bonds6

About 3-phenylpropyl N-(4-methoxyphenyl)carbamate

3-phenylpropyl N-(4-methoxyphenyl)carbamate (PubChem CID 102129676) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-phenylpropyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name3-phenylpropyl N-(4-methoxyphenyl)carbamate
PubChem CID102129676
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-phenylpropyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-16-11-9-15(10-12-16)18-17(19)21-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,18,19)
InChIKeyWGIKDANMEKSRIB-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.88
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

3-phenylpropyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 4934277
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate
CID 4192304
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
CID 4658360
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
CID 77352806
3-phenylpropyl 4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobutanoate
CID 4934472

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 3-phenylpropyl N-(4-methoxyphenyl)carbamate (CID 102129676) is 3-phenylpropyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 3-phenylpropyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 3-phenylpropyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCCCc2ccccc2)cc1.
What is the InChIKey of 3-phenylpropyl N-(4-methoxyphenyl)carbamate?
The InChIKey is WGIKDANMEKSRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16-11-9-15(10-12-16)18-17(19)21-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,18,19).
What are the key properties of 3-phenylpropyl N-(4-methoxyphenyl)carbamate?
3-phenylpropyl N-(4-methoxyphenyl)carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 102129676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).