2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate

C18H20N2O4 — CID 170966813

IUPAC2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
SMILESCC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCO)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-13(22)19-16-6-2-14(3-7-16)12-15-4-8-17(9-5-15)20-18(23)24-11-10-21/h2-9,21H,10-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyRLOIVGZGVCQIIA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.78
Rot. Bonds6

About 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate

2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate (PubChem CID 170966813) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
PubChem CID170966813
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
SMILESCC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCO)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-13(22)19-16-6-2-14(3-7-16)12-15-4-8-17(9-5-15)20-18(23)24-11-10-21/h2-9,21H,10-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyRLOIVGZGVCQIIA-UHFFFAOYSA-N
XLogP2.78
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(4-acetamidophenyl)methyl]phenyl]carbamoyloxy]propyl 3-methoxypropyl carbonate
CID 176863887
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
[3-hydroxy-2-[[4-[[4-(2-hydroxyethoxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxymethyl]-2-(hydroxymethyl)propyl] N-[4-[[4-[4-[[4-(2-hydroxyethoxycarbonylamino)phenyl]methyl]anilino]phenyl]methyl]phenyl]carbamate
CID 118910393
2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
CID 79346617
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
2-hydroxyethyl N-[4-(sulfamoylmethyl)phenyl]carbamate
CID 79345608
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
2-hydroxyethyl N-(4-acetamido-3-chlorophenyl)carbamate
CID 79349658
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
11-[4-[1-(11-methoxyundecyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]undecyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 22947057
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate (CID 170966813) is 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate is CC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCO)cc2)cc1.
What is the InChIKey of 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate?
The InChIKey is RLOIVGZGVCQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(22)19-16-6-2-14(3-7-16)12-15-4-8-17(9-5-15)20-18(23)24-11-10-21/h2-9,21H,10-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate?
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate is sourced from PubChem (CID 170966813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).