(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate

C19H23NO4 — CID 20723585

IUPAC(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate
SMILESCOc1ccc(OC(=O)N(C(C)C)C(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23NO4/c1-13(2)20(14(3)15-5-7-16(21)8-6-15)19(22)24-18-11-9-17(23-4)10-12-18/h5-14,21H,1-4H3
InChIKeySZRALWRMWSNMKN-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.37
Rot. Bonds5

About (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate

(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate (PubChem CID 20723585) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate
PubChem CID20723585
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate
SMILESCOc1ccc(OC(=O)N(C(C)C)C(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23NO4/c1-13(2)20(14(3)15-5-7-16(21)8-6-15)19(22)24-18-11-9-17(23-4)10-12-18/h5-14,21H,1-4H3
InChIKeySZRALWRMWSNMKN-UHFFFAOYSA-N
XLogP4.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate
CID 59112070
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 78127654
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
methane;4-methoxyphenol
CID 159494332
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520
2,2-dichloro-N-[1-(4-methoxyphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 78846846
(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide
CID 15248153
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 69435554

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate (CID 20723585) is (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate is COc1ccc(OC(=O)N(C(C)C)C(C)c2ccc(O)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate?
The InChIKey is SZRALWRMWSNMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(2)20(14(3)15-5-7-16(21)8-6-15)19(22)24-18-11-9-17(23-4)10-12-18/h5-14,21H,1-4H3.
What are the key properties of (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate?
(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate has a molecular weight of 329.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 20723585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).