(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate

C18H21NO4 — CID 59112070

IUPAC(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate
SMILESCCN(C(=O)Oc1ccc(OC)cc1)[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C18H21NO4/c1-4-19(13(2)14-5-7-15(20)8-6-14)18(21)23-17-11-9-16(22-3)10-12-17/h5-13,20H,4H2,1-3H3/t13-/m0/s1
InChIKeyNBFCEJRPEXKGBN-ZDUSSCGKSA-N
MW315.37 g/mol
LogP3.98
Rot. Bonds5

About (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate

(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate (PubChem CID 59112070) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate
PubChem CID59112070
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate
SMILESCCN(C(=O)Oc1ccc(OC)cc1)[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C18H21NO4/c1-4-19(13(2)14-5-7-15(20)8-6-14)18(21)23-17-11-9-16(22-3)10-12-17/h5-13,20H,4H2,1-3H3/t13-/m0/s1
InChIKeyNBFCEJRPEXKGBN-ZDUSSCGKSA-N
XLogP3.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl) N-[1-(4-hydroxyphenyl)ethyl]-N-propan-2-ylcarbamate
CID 20723585
2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 69435554
(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate
CID 22087790
2-[[(1R)-1-[4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]phenyl]ethyl]-(4-methoxyphenoxy)carbonylamino]acetic acid
CID 59112101
4-[(3S,4R)-4-(4-methoxyphenyl)hexan-3-yl]phenol
CID 11954178
(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate
CID 160644629
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
4-[1-(4-methoxyphenyl)-3-methylbutyl]phenol
CID 57159301
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(4-methoxyphenyl) 2-(4-hydroxyphenoxy)acetate
CID 167287233
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate (CID 59112070) is (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate is CCN(C(=O)Oc1ccc(OC)cc1)[C@@H](C)c1ccc(O)cc1.
What is the InChIKey of (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is NBFCEJRPEXKGBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-19(13(2)14-5-7-15(20)8-6-14)18(21)23-17-11-9-16(22-3)10-12-17/h5-13,20H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate?
(4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 315.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-ethyl-N-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 59112070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).