N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C26H27N3O3 — CID 41320207

IUPACN-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-18-10-9-11-19(2)24(18)29-23(30)17-27-26(32)22(16-20-12-5-3-6-13-20)28-25(31)21-14-7-4-8-15-21/h3-15,22H,16-17H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-/m0/s1
InChIKeyHRCOMGSFHKLQHB-QFIPXVFZSA-N
MW429.52 g/mol
LogP3.40
Rot. Bonds8

About N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 41320207) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID41320207
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-18-10-9-11-19(2)24(18)29-23(30)17-27-26(32)22(16-20-12-5-3-6-13-20)28-25(31)21-14-7-4-8-15-21/h3-15,22H,16-17H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-/m0/s1
InChIKeyHRCOMGSFHKLQHB-QFIPXVFZSA-N
XLogP3.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17490654
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 40792237
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
3-[(2-benzamido-3-phenylpropanoyl)amino]-2,2-dimethylpropanoic acid
CID 119249422
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771996

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 41320207) is N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is HRCOMGSFHKLQHB-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-10-9-11-19(2)24(18)29-23(30)17-27-26(32)22(16-20-12-5-3-6-13-20)28-25(31)21-14-7-4-8-15-21/h3-15,22H,16-17H2,1-2H3,(H,27,32)(H,28,31)(H,29,30)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 41320207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).