2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate

C13H18N2O4 — CID 79346617

IUPAC2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
SMILESCN(C)C(=O)Cc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C13H18N2O4/c1-15(2)12(17)9-10-3-5-11(6-4-10)14-13(18)19-8-7-16/h3-6,16H,7-9H2,1-2H3,(H,14,18)
InChIKeyMQPBVMDOAJHQHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.86
Rot. Bonds5

About 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate

2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate (PubChem CID 79346617) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
PubChem CID79346617
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate
SMILESCN(C)C(=O)Cc1ccc(NC(=O)OCCO)cc1
InChIInChI=1S/C13H18N2O4/c1-15(2)12(17)9-10-3-5-11(6-4-10)14-13(18)19-8-7-16/h3-6,16H,7-9H2,1-2H3,(H,14,18)
InChIKeyMQPBVMDOAJHQHP-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
2-hydroxyethyl N-[4-(sulfamoylmethyl)phenyl]carbamate
CID 79345608
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
4-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133632
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 81178638
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate (CID 79346617) is 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate is CN(C)C(=O)Cc1ccc(NC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate?
The InChIKey is MQPBVMDOAJHQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15(2)12(17)9-10-3-5-11(6-4-10)14-13(18)19-8-7-16/h3-6,16H,7-9H2,1-2H3,(H,14,18).
What are the key properties of 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate?
2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 79346617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).