ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate

C16H24N2O4 — CID 8792057

IUPACethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CCOc1ccc(C)cc1
InChIInChI=1S/C16H24N2O4/c1-4-18(12-15(19)17-16(20)21-5-2)10-11-22-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,19,20)
InChIKeyNSBFGVRPTCTEPH-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.97
Rot. Bonds8

About ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate

ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate (PubChem CID 8792057) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate
PubChem CID8792057
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nameethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CCOc1ccc(C)cc1
InChIInChI=1S/C16H24N2O4/c1-4-18(12-15(19)17-16(20)21-5-2)10-11-22-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,19,20)
InChIKeyNSBFGVRPTCTEPH-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[2-(3-bromophenoxy)ethyl-ethylamino]acetyl]carbamate
CID 8792071
2-(diethylamino)ethyl 2-(4-methylphenoxy)acetate
CID 76852280
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 34926420
ethyl N-[2-[ethyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]amino]acetyl]carbamate
CID 8557018
3-[butyl-[2-(4-methylphenoxy)ethyl]amino]propanoic acid
CID 82329434
4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid
CID 61449179
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate (CID 8792057) is ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CCOc1ccc(C)cc1.
What is the InChIKey of ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate?
The InChIKey is NSBFGVRPTCTEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-18(12-15(19)17-16(20)21-5-2)10-11-22-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,19,20).
What are the key properties of ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate?
ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-[2-(4-methylphenoxy)ethyl]amino]acetyl]carbamate is sourced from PubChem (CID 8792057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).