ethyl N-(4-benzyl-3-propylphenyl)carbamate

C19H23NO2 — CID 159677631

IUPACethyl N-(4-benzyl-3-propylphenyl)carbamate
SMILESCCCc1cc(NC(=O)OCC)ccc1Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-8-16-14-18(20-19(21)22-4-2)12-11-17(16)13-15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,20,21)
InChIKeyOTXDJBDSUBEQSE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.80
Rot. Bonds6

About ethyl N-(4-benzyl-3-propylphenyl)carbamate

ethyl N-(4-benzyl-3-propylphenyl)carbamate (PubChem CID 159677631) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl N-(4-benzyl-3-propylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-benzyl-3-propylphenyl)carbamate
PubChem CID159677631
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl N-(4-benzyl-3-propylphenyl)carbamate
SMILESCCCc1cc(NC(=O)OCC)ccc1Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-8-16-14-18(20-19(21)22-4-2)12-11-17(16)13-15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,20,21)
InChIKeyOTXDJBDSUBEQSE-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
CID 51154456
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid
CID 59081765
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-benzyl-3-propylphenyl)carbamate?
The IUPAC name of ethyl N-(4-benzyl-3-propylphenyl)carbamate (CID 159677631) is ethyl N-(4-benzyl-3-propylphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-benzyl-3-propylphenyl)carbamate?
The canonical SMILES for ethyl N-(4-benzyl-3-propylphenyl)carbamate is CCCc1cc(NC(=O)OCC)ccc1Cc1ccccc1.
What is the InChIKey of ethyl N-(4-benzyl-3-propylphenyl)carbamate?
The InChIKey is OTXDJBDSUBEQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-8-16-14-18(20-19(21)22-4-2)12-11-17(16)13-15-9-6-5-7-10-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,20,21).
What are the key properties of ethyl N-(4-benzyl-3-propylphenyl)carbamate?
ethyl N-(4-benzyl-3-propylphenyl)carbamate has a molecular weight of 297.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-benzyl-3-propylphenyl)carbamate is sourced from PubChem (CID 159677631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).