N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide

C25H24N2O3 — CID 60571715

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-17-12-14-20(15-13-17)23(28)21-10-6-7-11-22(21)25(30)27-18(2)24(29)26-16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyQTTUIJUSAOECKT-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.66
Rot. Bonds7

About N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide

N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide (PubChem CID 60571715) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide
PubChem CID60571715
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-17-12-14-20(15-13-17)23(28)21-10-6-7-11-22(21)25(30)27-18(2)24(29)26-16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyQTTUIJUSAOECKT-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-phenoxybenzamide
CID 60571640
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide
CID 60571641
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
2-(benzhydrylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 46631037

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide (CID 60571715) is N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NC(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide?
The InChIKey is QTTUIJUSAOECKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-12-14-20(15-13-17)23(28)21-10-6-7-11-22(21)25(30)27-18(2)24(29)26-16-19-8-4-3-5-9-19/h3-15,18H,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide?
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide is sourced from PubChem (CID 60571715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).