2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide

C20H24N2O2 — CID 160938577

IUPAC2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-4-20(2,3)19(24)22-17-12-8-11-16(14-17)21-18(23)13-15-9-6-5-7-10-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySUEWQVZVKICQTG-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.24
Rot. Bonds6

About 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide

2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide (PubChem CID 160938577) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
PubChem CID160938577
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-4-20(2,3)19(24)22-17-12-8-11-16(14-17)21-18(23)13-15-9-6-5-7-10-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySUEWQVZVKICQTG-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
CID 17235513
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
3-[[3-(2,2-dimethylbutanoylamino)phenyl]methylsulfanyl]propanoic acid
CID 119240983
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide (CID 160938577) is 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide is CCC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide?
The InChIKey is SUEWQVZVKICQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-20(2,3)19(24)22-17-12-8-11-16(14-17)21-18(23)13-15-9-6-5-7-10-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide?
2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide has a molecular weight of 324.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 160938577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).