2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride

C19H33ClN2O3 — CID 24836482

IUPAC2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
SMILESCCCCCCOc1ccc(NC(=O)OCCN(CC)CC)cc1.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-4-7-8-9-15-23-18-12-10-17(11-13-18)20-19(22)24-16-14-21(5-2)6-3;/h10-13H,4-9,14-16H2,1-3H3,(H,20,22);1H
InChIKeyNFVZKYOJWTVEOI-UHFFFAOYSA-N
MW372.94 g/mol
LogP4.96
Rot. Bonds12

About 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride

2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride (PubChem CID 24836482) has the molecular formula C19H33ClN2O3 and a molecular weight of 372.94 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
PubChem CID24836482
Molecular FormulaC19H33ClN2O3
Molecular Weight372.94 g/mol
Exact Mass372.22
IUPAC Name2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride
SMILESCCCCCCOc1ccc(NC(=O)OCCN(CC)CC)cc1.Cl
InChIInChI=1S/C19H32N2O3.ClH/c1-4-7-8-9-15-23-18-12-10-17(11-13-18)20-19(22)24-16-14-21(5-2)6-3;/h10-13H,4-9,14-16H2,1-3H3,(H,20,22);1H
InChIKeyNFVZKYOJWTVEOI-UHFFFAOYSA-N
XLogP4.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
1-(diethylamino)propan-2-yl N-(4-pentoxyphenyl)carbamate;hydrochloride
CID 138399577
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
octyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
CID 24836459
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
decyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836575
2-[methyl(tetradecyl)amino]ethyl N-[4-[2-[methyl(tetradecyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952492
2-[decyl(methyl)amino]ethyl N-[4-[2-[decyl(methyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139952468
[ethyl(hexyl)amino]methyl N-[4-[[ethyl(hexyl)amino]methoxycarbonylamino]phenyl]carbamate
CID 139952883
2-[methyl(pentyl)amino]ethyl N-[4-[2-[methyl(pentyl)amino]ethoxycarbonylamino]phenyl]carbamate
CID 139956615
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride (CID 24836482) is 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride is CCCCCCOc1ccc(NC(=O)OCCN(CC)CC)cc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride?
The InChIKey is NFVZKYOJWTVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3.ClH/c1-4-7-8-9-15-23-18-12-10-17(11-13-18)20-19(22)24-16-14-21(5-2)6-3;/h10-13H,4-9,14-16H2,1-3H3,(H,20,22);1H.
What are the key properties of 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride?
2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 4.96, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N-(4-hexoxyphenyl)carbamate;hydrochloride is sourced from PubChem (CID 24836482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).