2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide

C21H29NOSn — CID 177388876

IUPAC2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1[C@@H](c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C18H20NO.3CH3.Sn/c1-18(2,3)17(20)19-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14;;;;/h4-13H,1-3H3,(H,19,20);3*1H3;
InChIKeyRDKWRWICCYUZET-UHFFFAOYSA-N
MW430.18 g/mol
LogP5.68
Rot. Bonds4

About 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide

2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide (PubChem CID 177388876) has the molecular formula C21H29NOSn and a molecular weight of 430.18 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
PubChem CID177388876
Molecular FormulaC21H29NOSn
Molecular Weight430.18 g/mol
Exact Mass431.13
IUPAC Name2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1[C@@H](c1ccccc1)[Sn](C)(C)C
InChIInChI=1S/C18H20NO.3CH3.Sn/c1-18(2,3)17(20)19-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14;;;;/h4-13H,1-3H3,(H,19,20);3*1H3;
InChIKeyRDKWRWICCYUZET-UHFFFAOYSA-N
XLogP5.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.18
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[2-[phenyl(sulfanyl)methyl]phenyl]propanamide
CID 10828026
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
CID 15274530
N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide
CID 15274526
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-[3-[hydroxy(phenyl)methyl]quinoxalin-2-yl]-2,2-dimethylpropanamide
CID 10337037
2,2-dimethyl-N-[2-tri(propan-2-yl)silyloxyphenyl]propanamide
CID 24778389
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
N-[2-(2-chloro-2-phenylethyl)phenyl]-2,2-dimethylpropanamide;N-[2-(2-hydroxy-2-phenylethyl)phenyl]-2,2-dimethylpropanamide
CID 70464559
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide (CID 177388876) is 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccccc1[C@@H](c1ccccc1)[Sn](C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide?
The InChIKey is RDKWRWICCYUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO.3CH3.Sn/c1-18(2,3)17(20)19-16-12-8-7-11-15(16)13-14-9-5-4-6-10-14;;;;/h4-13H,1-3H3,(H,19,20);3*1H3;.
What are the key properties of 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide?
2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide has a molecular weight of 430.18 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide is sourced from PubChem (CID 177388876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).