N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide

C21H24N4O5 — CID 71873314

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)cc1
InChIInChI=1S/C21H24N4O5/c1-3-22-19(26)13-30-16-7-5-15(6-8-16)24-20(27)14-4-9-18(29-2)17(12-14)25-11-10-23-21(25)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,28)(H,24,27)
InChIKeyQZXGPSGEANVRNV-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.99
Rot. Bonds8

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 71873314) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID71873314
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)cc1
InChIInChI=1S/C21H24N4O5/c1-3-22-19(26)13-30-16-7-5-15(6-8-16)24-20(27)14-4-9-18(29-2)17(12-14)25-11-10-23-21(25)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,28)(H,24,27)
InChIKeyQZXGPSGEANVRNV-UHFFFAOYSA-N
XLogP1.99
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119350135
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
2-[4-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696737
N-(3-amino-2-methylpropyl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119997552
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
4-methoxy-N-[6-(4-methylphenyl)-2-pyridinyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 167810018
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 30859718
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
1-ethyl-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 30859500
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119526785
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide
CID 154740646
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119526784

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide (CID 71873314) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide is CCNC(=O)COc1ccc(NC(=O)c2ccc(OC)c(N3CCNC3=O)c2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is QZXGPSGEANVRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-3-22-19(26)13-30-16-7-5-15(6-8-16)24-20(27)14-4-9-18(29-2)17(12-14)25-11-10-23-21(25)28/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,26)(H,23,28)(H,24,27).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 412.45 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-methoxy-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 71873314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).