2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid

C18H28N2O6 — CID 155138344

IUPAC2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid
SMILESCCc1ccc(COC(=O)N(C)CCN(CCOCCO)C(=O)O)cc1
InChIInChI=1S/C18H28N2O6/c1-3-15-4-6-16(7-5-15)14-26-18(24)19(2)8-9-20(17(22)23)10-12-25-13-11-21/h4-7,21H,3,8-14H2,1-2H3,(H,22,23)
InChIKeyJLYULMYBORNUNH-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.81
Rot. Bonds11

About 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid

2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid (PubChem CID 155138344) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid
PubChem CID155138344
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid
SMILESCCc1ccc(COC(=O)N(C)CCN(CCOCCO)C(=O)O)cc1
InChIInChI=1S/C18H28N2O6/c1-3-15-4-6-16(7-5-15)14-26-18(24)19(2)8-9-20(17(22)23)10-12-25-13-11-21/h4-7,21H,3,8-14H2,1-2H3,(H,22,23)
InChIKeyJLYULMYBORNUNH-UHFFFAOYSA-N
XLogP1.81
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(3-(benzyloxy)-2-hydroxypropyl)piperazine-1-carboxylate hydrochloride
CID 2770557
Dibenzyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate
CID 2829026
Ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate hydrochloride
CID 6603413
1,3-Dioxolane-4-methanol, 2-methyl-2-(4-(1-methylethyl)phenyl)-, carbamate, cis-
CID 215060
Ethyl 4-[3-(benzyloxy)-2-hydroxypropyl]-1-piperazinecarboxylate
CID 2770558
ethyl 4-[(S)-3-(benzyloxy)-2-hydroxypropyl]-1-piperazinecarboxylate
CID 800612
Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
CID 3090877
benzyl N,N-bis[2-(2-hydroxyethoxy)ethyl]carbamate
CID 129691077
Benzyl 3-methoxymorpholine-4-carboxylate
CID 138975314
Ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate
CID 3241662
benzyl 4-[(2R)-2-hydroxy-3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxylate
CID 126653246
tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2-hydroxy-3-phenylmethoxypropyl]carbamate
CID 163209505

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid?
The IUPAC name of 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid (CID 155138344) is 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid?
The canonical SMILES for 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid is CCc1ccc(COC(=O)N(C)CCN(CCOCCO)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid?
The InChIKey is JLYULMYBORNUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-3-15-4-6-16(7-5-15)14-26-18(24)19(2)8-9-20(17(22)23)10-12-25-13-11-21/h4-7,21H,3,8-14H2,1-2H3,(H,22,23).
What are the key properties of 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid?
2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid has a molecular weight of 368.43 g/mol, XLogP of 1.81, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methoxycarbonyl-methylamino]ethyl-[2-(2-hydroxyethoxy)ethyl]carbamic acid is sourced from PubChem (CID 155138344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).