2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride

C22H37ClN2O4 — CID 3087063

IUPAC2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
SMILESCCCCCCCCCOc1cccc(NC(=O)OCCN2CCOCC2)c1.Cl
InChIInChI=1S/C22H36N2O4.ClH/c1-2-3-4-5-6-7-8-15-27-21-11-9-10-20(19-21)23-22(25)28-18-14-24-12-16-26-17-13-24;/h9-11,19H,2-8,12-18H2,1H3,(H,23,25);1H
InChIKeySZWXCSZYZINZTM-UHFFFAOYSA-N
MW429.00 g/mol
LogP5.12
Rot. Bonds13

About 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride

2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride (PubChem CID 3087063) has the molecular formula C22H37ClN2O4 and a molecular weight of 429.00 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
PubChem CID3087063
Molecular FormulaC22H37ClN2O4
Molecular Weight429.00 g/mol
Exact Mass428.24
IUPAC Name2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
SMILESCCCCCCCCCOc1cccc(NC(=O)OCCN2CCOCC2)c1.Cl
InChIInChI=1S/C22H36N2O4.ClH/c1-2-3-4-5-6-7-8-15-27-21-11-9-10-20(19-21)23-22(25)28-18-14-24-12-16-26-17-13-24;/h9-11,19H,2-8,12-18H2,1H3,(H,23,25);1H
InChIKeySZWXCSZYZINZTM-UHFFFAOYSA-N
XLogP5.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.00
LogP ≤ 55.12
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-(4-octoxyphenyl)carbamate
CID 3087060
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 25015202
(3-hexoxyphenyl)urea
CID 102387253
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
(2-hydroxy-3-piperidin-1-ylpropyl) N-(3-butoxyphenyl)carbamate;hydrochloride
CID 24836360
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride (CID 3087063) is 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride is CCCCCCCCCOc1cccc(NC(=O)OCCN2CCOCC2)c1.Cl.
What is the InChIKey of 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride?
The InChIKey is SZWXCSZYZINZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4.ClH/c1-2-3-4-5-6-7-8-15-27-21-11-9-10-20(19-21)23-22(25)28-18-14-24-12-16-26-17-13-24;/h9-11,19H,2-8,12-18H2,1H3,(H,23,25);1H.
What are the key properties of 2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride?
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride has a molecular weight of 429.00 g/mol, XLogP of 5.12, 13 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-(3-nonoxyphenyl)carbamate;hydrochloride is sourced from PubChem (CID 3087063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).