N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide

C21H25N3O4 — CID 55886033

IUPACN-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)C(C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-22-19(25)13-28-18-10-8-17(9-11-18)24-20(26)15(3)23-21(27)16-7-5-6-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyBRLOKQKIEYGBEZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.27
Rot. Bonds8

About N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 55886033) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID55886033
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)C(C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-22-19(25)13-28-18-10-8-17(9-11-18)24-20(26)15(3)23-21(27)16-7-5-6-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyBRLOKQKIEYGBEZ-UHFFFAOYSA-N
XLogP2.27
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886160
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-4-methylbenzamide
CID 38497709
N-[(2S)-1-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9425095
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885905
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
3-methyl-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097596
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-5-methylbenzamide
CID 32937197
N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55350949
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 55886033) is N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide is CCNC(=O)COc1ccc(NC(=O)C(C)NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is BRLOKQKIEYGBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-22-19(25)13-28-18-10-8-17(9-11-18)24-20(26)15(3)23-21(27)16-7-5-6-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55886033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).