ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate

C18H27N3O6 — CID 55745890

IUPACethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
SMILESCCNC(=O)COc1ccc(CNC(=O)CCNC(=O)OCC)cc1OC
InChIInChI=1S/C18H27N3O6/c1-4-19-17(23)12-27-14-7-6-13(10-15(14)25-3)11-21-16(22)8-9-20-18(24)26-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyWZYVTTDADMMBHW-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.96
Rot. Bonds11

About ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate

ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate (PubChem CID 55745890) has the molecular formula C18H27N3O6 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
PubChem CID55745890
Molecular FormulaC18H27N3O6
Molecular Weight381.43 g/mol
Exact Mass381.19
IUPAC Nameethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
SMILESCCNC(=O)COc1ccc(CNC(=O)CCNC(=O)OCC)cc1OC
InChIInChI=1S/C18H27N3O6/c1-4-19-17(23)12-27-14-7-6-13(10-15(14)25-3)11-21-16(22)8-9-20-18(24)26-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyWZYVTTDADMMBHW-UHFFFAOYSA-N
XLogP0.96
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
ethyl 6-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55746045
4-bromo-N-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 55659925
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate (CID 55745890) is ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate is CCNC(=O)COc1ccc(CNC(=O)CCNC(=O)OCC)cc1OC.
What is the InChIKey of ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
The InChIKey is WZYVTTDADMMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6/c1-4-19-17(23)12-27-14-7-6-13(10-15(14)25-3)11-21-16(22)8-9-20-18(24)26-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate has a molecular weight of 381.43 g/mol, XLogP of 0.96, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 55745890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).