2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide

C35H56N2O — CID 170687350

IUPAC2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide
SMILESCCC(C)c1ccc(C(C)CC(C)(CC(CC)c2ccc(C(C)(C)C)cc2)C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C35H56N2O/c1-11-26(3)29-14-16-30(17-15-29)27(4)24-35(8,33(38)36-22-13-23-37(9)10)25-28(12-2)31-18-20-32(21-19-31)34(5,6)7/h14-21,26-28H,11-13,22-25H2,1-10H3,(H,36,38)
InChIKeyAUHWOEHSYUNZFA-UHFFFAOYSA-N
MW520.85 g/mol
LogP8.65
Rot. Bonds14

About 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide

2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide (PubChem CID 170687350) has the molecular formula C35H56N2O and a molecular weight of 520.85 g/mol. Its IUPAC name is 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide.

Molecular Properties

Compound Name2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide
PubChem CID170687350
Molecular FormulaC35H56N2O
Molecular Weight520.85 g/mol
Exact Mass520.44
IUPAC Name2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide
SMILESCCC(C)c1ccc(C(C)CC(C)(CC(CC)c2ccc(C(C)(C)C)cc2)C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C35H56N2O/c1-11-26(3)29-14-16-30(17-15-29)27(4)24-35(8,33(38)36-22-13-23-37(9)10)25-28(12-2)31-18-20-32(21-19-31)34(5,6)7/h14-21,26-28H,11-13,22-25H2,1-10H3,(H,36,38)
InChIKeyAUHWOEHSYUNZFA-UHFFFAOYSA-N
XLogP8.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.85
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672
3-[4-[5-(4-butan-2-ylphenyl)hexan-3-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 58969107
2-[2-(4-tert-butylphenyl)propyl]-2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
CID 155645513
1,4-bis(ethenyl)benzene;1-bromobutane;9-(4-butan-2-ylphenyl)-2,2-dimethyl-N-(4-methylpentyl)undecanamide;N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;methane;bromide
CID 161215205
1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
CID 116911318
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
4-butan-2-yl-N-(2-hydroxyethyl)benzamide
CID 18724737
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
1-tert-butyl-4-(4-fluoro-4-methylpentan-2-yl)benzene
CID 24974883
N-(4-butan-2-ylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138838
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 110901095

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide?
The IUPAC name of 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide (CID 170687350) is 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide.
What is the SMILES notation for 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide?
The canonical SMILES for 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide is CCC(C)c1ccc(C(C)CC(C)(CC(CC)c2ccc(C(C)(C)C)cc2)C(=O)NCCCN(C)C)cc1.
What is the InChIKey of 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide?
The InChIKey is AUHWOEHSYUNZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56N2O/c1-11-26(3)29-14-16-30(17-15-29)27(4)24-35(8,33(38)36-22-13-23-37(9)10)25-28(12-2)31-18-20-32(21-19-31)34(5,6)7/h14-21,26-28H,11-13,22-25H2,1-10H3,(H,36,38).
What are the key properties of 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide?
2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide has a molecular weight of 520.85 g/mol, XLogP of 8.65, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butan-2-ylphenyl)propyl]-4-(4-tert-butylphenyl)-N-[3-(dimethylamino)propyl]-2-methylhexanamide is sourced from PubChem (CID 170687350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).