3-phenylpropyl N-(2-phenoxyethyl)carbamate

C18H21NO3 — CID 6733581

IUPAC3-phenylpropyl N-(2-phenoxyethyl)carbamate
SMILESO=C(NCCOc1ccccc1)OCCCc1ccccc1
InChIInChI=1S/C18H21NO3/c20-18(19-13-15-21-17-11-5-2-6-12-17)22-14-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12H,7,10,13-15H2,(H,19,20)
InChIKeyOHNPWMPOUSERNV-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.42
Rot. Bonds8

About 3-phenylpropyl N-(2-phenoxyethyl)carbamate

3-phenylpropyl N-(2-phenoxyethyl)carbamate (PubChem CID 6733581) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-phenylpropyl N-(2-phenoxyethyl)carbamate.

Molecular Properties

Compound Name3-phenylpropyl N-(2-phenoxyethyl)carbamate
PubChem CID6733581
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-phenylpropyl N-(2-phenoxyethyl)carbamate
SMILESO=C(NCCOc1ccccc1)OCCCc1ccccc1
InChIInChI=1S/C18H21NO3/c20-18(19-13-15-21-17-11-5-2-6-12-17)22-14-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12H,7,10,13-15H2,(H,19,20)
InChIKeyOHNPWMPOUSERNV-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.42
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-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
butyl N-(5-phenylpentyl)carbamate
CID 69404409
3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
benzyl N-[4-[4-(3-hydroxypropoxy)phenyl]butyl]carbamate
CID 11581231
benzyl N-[4-[4-[2-(benzylamino)ethoxy]phenyl]butyl]carbamate
CID 58100148
decyl N-(4-phenylbutyl)carbamate
CID 101211373
butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
CID 108573944
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate
CID 168908373
ethyl N-[2-(3-phenoxypropylcarbamoylamino)ethyl]carbamate
CID 108883312
3-(phenoxycarbonylamino)propyl N-(3-hydroxypropyl)carbamate
CID 101097909
prop-2-enyl N-[2-(4-phenoxyphenoxy)ethyl]carbamate
CID 67919517

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl N-(2-phenoxyethyl)carbamate?
The IUPAC name of 3-phenylpropyl N-(2-phenoxyethyl)carbamate (CID 6733581) is 3-phenylpropyl N-(2-phenoxyethyl)carbamate.
What is the SMILES notation for 3-phenylpropyl N-(2-phenoxyethyl)carbamate?
The canonical SMILES for 3-phenylpropyl N-(2-phenoxyethyl)carbamate is O=C(NCCOc1ccccc1)OCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl N-(2-phenoxyethyl)carbamate?
The InChIKey is OHNPWMPOUSERNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-18(19-13-15-21-17-11-5-2-6-12-17)22-14-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12H,7,10,13-15H2,(H,19,20).
What are the key properties of 3-phenylpropyl N-(2-phenoxyethyl)carbamate?
3-phenylpropyl N-(2-phenoxyethyl)carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-(2-phenoxyethyl)carbamate is sourced from PubChem (CID 6733581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).