[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate

C21H26N2O4 — CID 55417663

IUPAC[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OC(C)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-5-23(6-2)18-11-7-16(8-12-18)21(25)27-15(3)20(24)22-17-9-13-19(26-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,22,24)
InChIKeyIXHAYGRARIANGA-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.73
Rot. Bonds8

About [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate

[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate (PubChem CID 55417663) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
PubChem CID55417663
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OC(C)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-5-23(6-2)18-11-7-16(8-12-18)21(25)27-15(3)20(24)22-17-9-13-19(26-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,22,24)
InChIKeyIXHAYGRARIANGA-UHFFFAOYSA-N
XLogP3.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514923
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
4-O-[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308126
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 43015349
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 16523275
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 7709476
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2092399
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 7709562
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
CID 27110198

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
The IUPAC name of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate (CID 55417663) is [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate.
What is the SMILES notation for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
The canonical SMILES for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OC(C)C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
The InChIKey is IXHAYGRARIANGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-23(6-2)18-11-7-16(8-12-18)21(25)27-15(3)20(24)22-17-9-13-19(26-4)14-10-17/h7-15H,5-6H2,1-4H3,(H,22,24).
What are the key properties of [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate has a molecular weight of 370.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate is sourced from PubChem (CID 55417663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).