N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C20H28N4O4 — CID 4080843

IUPACN-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC)CCN(CC(=O)Nc1cc(C)on1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C20H28N4O4/c1-5-23(6-2)10-11-24(14-19(25)21-18-12-15(3)28-22-18)20(26)16-8-7-9-17(13-16)27-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,21,22,25)
InChIKeyIRYSRYANJOPSHY-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.41
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 4080843) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID4080843
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCCN(CC)CCN(CC(=O)Nc1cc(C)on1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C20H28N4O4/c1-5-23(6-2)10-11-24(14-19(25)21-18-12-15(3)28-22-18)20(26)16-8-7-9-17(13-16)27-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,21,22,25)
InChIKeyIRYSRYANJOPSHY-UHFFFAOYSA-N
XLogP2.41
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
N-[2-(diethylamino)ethyl]-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5078699
N-(2-methoxyethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 42768952
4-butoxy-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 5082068
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4054596
N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4052929
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
2-[(3-methoxyphenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769233
3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 4614213
3-chloro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 7296183
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 42771484
N-butyl-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4307508

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 4080843) is N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is CCN(CC)CCN(CC(=O)Nc1cc(C)on1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is IRYSRYANJOPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-5-23(6-2)10-11-24(14-19(25)21-18-12-15(3)28-22-18)20(26)16-8-7-9-17(13-16)27-4/h7-9,12-13H,5-6,10-11,14H2,1-4H3,(H,21,22,25).
What are the key properties of N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4080843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).