N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide

C13H20N2O — CID 60893152

IUPACN-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-13(2,3)8-12(16)15-9-10-4-6-11(14)7-5-10/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyCUITVIJHKOTJCH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide

N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 60893152) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
PubChem CID60893152
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1ccc(N)cc1
InChIInChI=1S/C13H20N2O/c1-13(2,3)8-12(16)15-9-10-4-6-11(14)7-5-10/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyCUITVIJHKOTJCH-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
3-[(4-aminophenyl)methylamino]-3-oxopropanoic acid
CID 110480209
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
CID 143901890
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
CID 21268066
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide (CID 60893152) is N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is CUITVIJHKOTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)8-12(16)15-9-10-4-6-11(14)7-5-10/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide?
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 60893152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).