4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide

C17H23F2N3O5 — CID 55394910

IUPAC4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCNC(=O)CN(CC)C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C17H23F2N3O5/c1-4-20-14(23)10-22(5-2)15(24)9-21-16(25)11-6-7-12(27-17(18)19)13(8-11)26-3/h6-8,17H,4-5,9-10H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyYKRAKROWEAZWCB-UHFFFAOYSA-N
MW387.38 g/mol
LogP1.01
Rot. Bonds10

About 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 55394910) has the molecular formula C17H23F2N3O5 and a molecular weight of 387.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID55394910
Molecular FormulaC17H23F2N3O5
Molecular Weight387.38 g/mol
Exact Mass387.16
IUPAC Name4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCNC(=O)CN(CC)C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C17H23F2N3O5/c1-4-20-14(23)10-22(5-2)15(24)9-21-16(25)11-6-7-12(27-17(18)19)13(8-11)26-3/h6-8,17H,4-5,9-10H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyYKRAKROWEAZWCB-UHFFFAOYSA-N
XLogP1.01
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31235284
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
CID 120654617
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 115597740
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide (CID 55394910) is 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide is CCNC(=O)CN(CC)C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is YKRAKROWEAZWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O5/c1-4-20-14(23)10-22(5-2)15(24)9-21-16(25)11-6-7-12(27-17(18)19)13(8-11)26-3/h6-8,17H,4-5,9-10H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 387.38 g/mol, XLogP of 1.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 55394910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).