N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide

C18H28N2O — CID 106910594

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(CNC2CC2)cc1)C(C)(C)C
InChIInChI=1S/C18H28N2O/c1-13(18(2,3)4)11-17(21)20-16-7-5-14(6-8-16)12-19-15-9-10-15/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyXJKUXESRXJXBKH-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.95
Rot. Bonds6

About N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide

N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide (PubChem CID 106910594) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide
PubChem CID106910594
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(CNC2CC2)cc1)C(C)(C)C
InChIInChI=1S/C18H28N2O/c1-13(18(2,3)4)11-17(21)20-16-7-5-14(6-8-16)12-19-15-9-10-15/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21)
InChIKeyXJKUXESRXJXBKH-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
CID 107938515
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119440969
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
N-(2,3-dihydro-1H-indol-5-yl)-3,4,4-trimethylpentanamide
CID 63834008

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide (CID 106910594) is N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccc(CNC2CC2)cc1)C(C)(C)C.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide?
The InChIKey is XJKUXESRXJXBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(18(2,3)4)11-17(21)20-16-7-5-14(6-8-16)12-19-15-9-10-15/h5-8,13,15,19H,9-12H2,1-4H3,(H,20,21).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide?
N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.95, 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]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 106910594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).