2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate

C19H22N2O4 — CID 54414116

IUPAC2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate
SMILESO=CNc1ccc(CCCc2ccc(NC(=O)OCCO)cc2)cc1
InChIInChI=1S/C19H22N2O4/c22-12-13-25-19(24)21-18-10-6-16(7-11-18)3-1-2-15-4-8-17(9-5-15)20-14-23/h4-11,14,22H,1-3,12-13H2,(H,20,23)(H,21,24)
InChIKeyYZVPGHVSLZSIQQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.97
Rot. Bonds9

About 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate

2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate (PubChem CID 54414116) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate
PubChem CID54414116
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate
SMILESO=CNc1ccc(CCCc2ccc(NC(=O)OCCO)cc2)cc1
InChIInChI=1S/C19H22N2O4/c22-12-13-25-19(24)21-18-10-6-16(7-11-18)3-1-2-15-4-8-17(9-5-15)20-14-23/h4-11,14,22H,1-3,12-13H2,(H,20,23)(H,21,24)
InChIKeyYZVPGHVSLZSIQQ-UHFFFAOYSA-N
XLogP2.97
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate (CID 54414116) is 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate is O=CNc1ccc(CCCc2ccc(NC(=O)OCCO)cc2)cc1.
What is the InChIKey of 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate?
The InChIKey is YZVPGHVSLZSIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-12-13-25-19(24)21-18-10-6-16(7-11-18)3-1-2-15-4-8-17(9-5-15)20-14-23/h4-11,14,22H,1-3,12-13H2,(H,20,23)(H,21,24).
What are the key properties of 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate?
2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[4-[3-(4-formamidophenyl)propyl]phenyl]carbamate is sourced from PubChem (CID 54414116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).