(4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate

C20H24N2O5 — CID 22095176

IUPAC(4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
SMILESCCN(CCO)c1ccc(NC(=O)OCc2ccc(C=O)c(O)c2)c(C)c1
InChIInChI=1S/C20H24N2O5/c1-3-22(8-9-23)17-6-7-18(14(2)10-17)21-20(26)27-13-15-4-5-16(12-24)19(25)11-15/h4-7,10-12,23,25H,3,8-9,13H2,1-2H3,(H,21,26)
InChIKeyPUWHREQOWDITPV-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.08
Rot. Bonds8

About (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate

(4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate (PubChem CID 22095176) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate.

Molecular Properties

Compound Name(4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
PubChem CID22095176
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name(4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
SMILESCCN(CCO)c1ccc(NC(=O)OCc2ccc(C=O)c(O)c2)c(C)c1
InChIInChI=1S/C20H24N2O5/c1-3-22(8-9-23)17-6-7-18(14(2)10-17)21-20(26)27-13-15-4-5-16(12-24)19(25)11-15/h4-7,10-12,23,25H,3,8-9,13H2,1-2H3,(H,21,26)
InChIKeyPUWHREQOWDITPV-UHFFFAOYSA-N
XLogP3.08
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4-formylphenyl)methyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22095187
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
2-(6-butan-2-yl-1,3-benzothiazol-2-yl)ethyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
CID 20734197
(2-formyl-3-hydroxy-4,5-dimethoxyphenyl)methyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22095133
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735
N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]-2-oxoheptadecanamide
CID 22957791
2-(2-hydroxyethylsulfonylmethylsulfonyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23399598
[4-(1-cyclopropylethoxy)-3-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889617
[4-(1,3-dioxolan-2-yl)-3-(methoxymethoxy)phenyl]methyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22095153
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
2-[2-[[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamoyloxy]ethylsulfonylmethylsulfonyl]ethyl N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate
CID 22948506
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202

Frequently Asked Questions

What is the IUPAC name of (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
The IUPAC name of (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate (CID 22095176) is (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate.
What is the SMILES notation for (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
The canonical SMILES for (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate is CCN(CCO)c1ccc(NC(=O)OCc2ccc(C=O)c(O)c2)c(C)c1.
What is the InChIKey of (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
The InChIKey is PUWHREQOWDITPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-22(8-9-23)17-6-7-18(14(2)10-17)21-20(26)27-13-15-4-5-16(12-24)19(25)11-15/h4-7,10-12,23,25H,3,8-9,13H2,1-2H3,(H,21,26).
What are the key properties of (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate?
(4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate has a molecular weight of 372.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-3-hydroxyphenyl)methyl N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate is sourced from PubChem (CID 22095176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).