ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate

C22H27N3O7 — CID 56558869

IUPACethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1
InChIInChI=1S/C22H27N3O7/c1-4-31-22(28)24-12-11-23-21(27)15-9-10-18(19(13-15)30-3)32-14-20(26)25-16-7-5-6-8-17(16)29-2/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyKJWQSLQTYVPKKW-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.20
Rot. Bonds11

About ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate

ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate (PubChem CID 56558869) has the molecular formula C22H27N3O7 and a molecular weight of 445.47 g/mol. Its IUPAC name is ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
PubChem CID56558869
Molecular FormulaC22H27N3O7
Molecular Weight445.47 g/mol
Exact Mass445.18
IUPAC Nameethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1
InChIInChI=1S/C22H27N3O7/c1-4-31-22(28)24-12-11-23-21(27)15-9-10-18(19(13-15)30-3)32-14-20(26)25-16-7-5-6-8-17(16)29-2/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26)
InChIKeyKJWQSLQTYVPKKW-UHFFFAOYSA-N
XLogP2.20
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
[2-oxo-2-(propylamino)ethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 3375002
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 3554862
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
[2-(diethylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441337
butyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 18289886
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
2-hydroxyethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 32697010
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593010
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate (CID 56558869) is ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(OC)c1.
What is the InChIKey of ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate?
The InChIKey is KJWQSLQTYVPKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7/c1-4-31-22(28)24-12-11-23-21(27)15-9-10-18(19(13-15)30-3)32-14-20(26)25-16-7-5-6-8-17(16)29-2/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,27)(H,24,28)(H,25,26).
What are the key properties of ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate?
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate has a molecular weight of 445.47 g/mol, XLogP of 2.20, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 56558869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).