N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C22H26N2O5 — CID 55587996

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-23-21(25)15-29-19-11-7-17(8-12-19)24-22(26)16-5-9-18(10-6-16)28-14-20-4-3-13-27-20/h5-12,20H,2-4,13-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyMFASGMUZSPLUEU-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.01
Rot. Bonds9

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55587996) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID55587996
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-23-21(25)15-29-19-11-7-17(8-12-19)24-22(26)16-5-9-18(10-6-16)28-14-20-4-3-13-27-20/h5-12,20H,2-4,13-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyMFASGMUZSPLUEU-UHFFFAOYSA-N
XLogP3.01
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 55587996) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide is CCNC(=O)COc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is MFASGMUZSPLUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-2-23-21(25)15-29-19-11-7-17(8-12-19)24-22(26)16-5-9-18(10-6-16)28-14-20-4-3-13-27-20/h5-12,20H,2-4,13-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 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-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55587996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).