2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate

C21H34N2O4 — CID 3087060

IUPAC2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
SMILESCCCCCCCCOc1ccc(NC(=O)OCCN2CCOCC2)cc1
InChIInChI=1S/C21H34N2O4/c1-2-3-4-5-6-7-15-26-20-10-8-19(9-11-20)22-21(24)27-18-14-23-12-16-25-17-13-23/h8-11H,2-7,12-18H2,1H3,(H,22,24)
InChIKeyPUDJDJLTEKPLOH-UHFFFAOYSA-N
MW378.51 g/mol
LogP4.31
Rot. Bonds12

About 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate

2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate (PubChem CID 3087060) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
PubChem CID3087060
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
SMILESCCCCCCCCOc1ccc(NC(=O)OCCN2CCOCC2)cc1
InChIInChI=1S/C21H34N2O4/c1-2-3-4-5-6-7-15-26-20-10-8-19(9-11-20)22-21(24)27-18-14-23-12-16-25-17-13-23/h8-11H,2-7,12-18H2,1H3,(H,22,24)
InChIKeyPUDJDJLTEKPLOH-UHFFFAOYSA-N
XLogP4.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
CID 100700350
6-(2-morpholin-4-ylethoxy)-N-[(4-pentoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 59700734
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
CID 24836482
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
2-morpholin-4-ylethyl octanoate
CID 23118480

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate (CID 3087060) is 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate is CCCCCCCCOc1ccc(NC(=O)OCCN2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate?
The InChIKey is PUDJDJLTEKPLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-2-3-4-5-6-7-15-26-20-10-8-19(9-11-20)22-21(24)27-18-14-23-12-16-25-17-13-23/h8-11H,2-7,12-18H2,1H3,(H,22,24).
What are the key properties of 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate?
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate has a molecular weight of 378.51 g/mol, XLogP of 4.31, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate is sourced from PubChem (CID 3087060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).