ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid

C19H22N2O4 — CID 57057134

IUPACethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid
SMILESCCCN(C(=O)Oc1cccc(N(CC)C(=O)O)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-13-21(15-9-6-5-7-10-15)19(24)25-17-12-8-11-16(14-17)20(4-2)18(22)23/h5-12,14H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyAYBQFYDMZRGOMS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.61
Rot. Bonds6

About ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid

ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid (PubChem CID 57057134) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid
PubChem CID57057134
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid
SMILESCCCN(C(=O)Oc1cccc(N(CC)C(=O)O)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-3-13-21(15-9-6-5-7-10-15)19(24)25-17-12-8-11-16(14-17)20(4-2)18(22)23/h5-12,14H,3-4,13H2,1-2H3,(H,22,23)
InChIKeyAYBQFYDMZRGOMS-UHFFFAOYSA-N
XLogP4.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[ethyl(phenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57100117
2-bromoethyl-[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]carbamic acid
CID 57235599
[3-[bis(2-chloroethyl)carbamoyloxy]phenyl]-(2-chloroethyl)carbamic acid
CID 70583651
[3-[ethyl-(2-methylphenyl)carbamoyl]oxyphenyl]-propan-2-ylcarbamic acid
CID 57156318
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 54282539
1-(3-ethoxyphenyl)-1-propylurea
CID 3032093
N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
CID 23210449
[3-(dimethylamino)phenyl] N-benzyl-N-methylcarbamate
CID 13371954
[3-(prop-2-ynoxycarbonylamino)phenyl] N-butyl-N-phenylcarbamate
CID 14372424
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
CID 17320931

Frequently Asked Questions

What is the IUPAC name of ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid?
The IUPAC name of ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid (CID 57057134) is ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid.
What is the SMILES notation for ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid?
The canonical SMILES for ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid is CCCN(C(=O)Oc1cccc(N(CC)C(=O)O)c1)c1ccccc1.
What is the InChIKey of ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid?
The InChIKey is AYBQFYDMZRGOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-13-21(15-9-6-5-7-10-15)19(24)25-17-12-8-11-16(14-17)20(4-2)18(22)23/h5-12,14H,3-4,13H2,1-2H3,(H,22,23).
What are the key properties of ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid?
ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid has a molecular weight of 342.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[3-[phenyl(propyl)carbamoyl]oxyphenyl]carbamic acid is sourced from PubChem (CID 57057134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).