(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide

C25H25IN2O2 — CID 40592995

IUPAC(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C25H25IN2O2/c1-17(2)23(25(30)27-21-15-13-20(26)14-16-21)28-24(29)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22-23H,1-2H3,(H,27,30)(H,28,29)/t23-/m1/s1
InChIKeyYIYSSWGWZAWHNI-HSZRJFAPSA-N
MW512.39 g/mol
LogP5.20
Rot. Bonds7

About (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide

(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide (PubChem CID 40592995) has the molecular formula C25H25IN2O2 and a molecular weight of 512.39 g/mol. Its IUPAC name is (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide
PubChem CID40592995
Molecular FormulaC25H25IN2O2
Molecular Weight512.39 g/mol
Exact Mass512.10
IUPAC Name(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C25H25IN2O2/c1-17(2)23(25(30)27-21-15-13-20(26)14-16-21)28-24(29)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22-23H,1-2H3,(H,27,30)(H,28,29)/t23-/m1/s1
InChIKeyYIYSSWGWZAWHNI-HSZRJFAPSA-N
XLogP5.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3,4-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 1036687
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 126008908
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 96564952
tert-butyl N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 102474491
N-(4-iodophenyl)-2-methoxy-2-phenylacetamide
CID 55024606
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
(2S)-2-(chloroamino)-3-methyl-N-phenylbutanamide
CID 88902411
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide (CID 40592995) is (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide is CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide?
The InChIKey is YIYSSWGWZAWHNI-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25IN2O2/c1-17(2)23(25(30)27-21-15-13-20(26)14-16-21)28-24(29)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22-23H,1-2H3,(H,27,30)(H,28,29)/t23-/m1/s1.
What are the key properties of (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide?
(2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide has a molecular weight of 512.39 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-diphenylacetyl)amino]-N-(4-iodophenyl)-3-methylbutanamide is sourced from PubChem (CID 40592995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).