N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C19H31NO — CID 118460057

IUPACN-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCC(C)(C)C)cc1
InChIInChI=1S/C19H31NO/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(21)20-12-11-19(4,5)6/h7-10,14-15H,11-13H2,1-6H3,(H,20,21)
InChIKeySJVISVVZRBQFPY-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.54
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 118460057) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID118460057
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCC(C)(C)C)cc1
InChIInChI=1S/C19H31NO/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(21)20-12-11-19(4,5)6/h7-10,14-15H,11-13H2,1-6H3,(H,20,21)
InChIKeySJVISVVZRBQFPY-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-phenylethyl)propanamide
CID 1228331
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 85068622
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
triethyl-[3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propyl]azanium
CID 22218584
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 118460057) is N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCCC(C)(C)C)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is SJVISVVZRBQFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)13-16-7-9-17(10-8-16)15(3)18(21)20-12-11-19(4,5)6/h7-10,14-15H,11-13H2,1-6H3,(H,20,21).
What are the key properties of N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 289.46 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 118460057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).