N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide

C25H32N4O4 — CID 41080718

IUPACN-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1
InChIInChI=1S/C25H32N4O4/c1-18-4-3-5-20(16-18)25(31)26-19(2)24(30)27-22-7-6-21(28-8-12-32-13-9-28)17-23(22)29-10-14-33-15-11-29/h3-7,16-17,19H,8-15H2,1-2H3,(H,26,31)(H,27,30)/t19-/m1/s1
InChIKeyQCBLYPKZWKNTMC-LJQANCHMSA-N
MW452.56 g/mol
LogP2.43
Rot. Bonds6

About N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide

N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 41080718) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID41080718
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1
InChIInChI=1S/C25H32N4O4/c1-18-4-3-5-20(16-18)25(31)26-19(2)24(30)27-22-7-6-21(28-8-12-32-13-9-28)17-23(22)29-10-14-33-15-11-29/h3-7,16-17,19H,8-15H2,1-2H3,(H,26,31)(H,27,30)/t19-/m1/s1
InChIKeyQCBLYPKZWKNTMC-LJQANCHMSA-N
XLogP2.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
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CID 55620802
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
3-(dimethylamino)-N-(2,4-dimorpholin-4-ylphenyl)benzamide
CID 26072175
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
CID 41307253
(2R,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
CID 41307264
3-methyl-N-[3-methyl-1-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55328581
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
N-(2,4-dimorpholin-4-ylphenyl)-6-methylpyridine-3-carboxamide
CID 18149073

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide (CID 41080718) is N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1.
What is the InChIKey of N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is QCBLYPKZWKNTMC-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-18-4-3-5-20(16-18)25(31)26-19(2)24(30)27-22-7-6-21(28-8-12-32-13-9-28)17-23(22)29-10-14-33-15-11-29/h3-7,16-17,19H,8-15H2,1-2H3,(H,26,31)(H,27,30)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 452.56 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 41080718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).