N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide

C16H24N2O — CID 106910518

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-4-16(2,3)15(19)18-14-7-5-12(6-8-14)11-17-13-9-10-13/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyUDNRUBYAOAIBBC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.31
Rot. Bonds6

About N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide

N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide (PubChem CID 106910518) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
PubChem CID106910518
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-4-16(2,3)15(19)18-14-7-5-12(6-8-14)11-17-13-9-10-13/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyUDNRUBYAOAIBBC-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
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tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
CID 107938515
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide (CID 106910518) is N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide?
The InChIKey is UDNRUBYAOAIBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(2,3)15(19)18-14-7-5-12(6-8-14)11-17-13-9-10-13/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide?
N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 106910518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).