N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide

C22H29NO — CID 21361632

IUPACN-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO/c1-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(24)23-16-15-22(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,23,24)
InChIKeyAGRFBHWEJBGIDA-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.47
Rot. Bonds6

About N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide

N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide (PubChem CID 21361632) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide
PubChem CID21361632
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO/c1-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(24)23-16-15-22(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,23,24)
InChIKeyAGRFBHWEJBGIDA-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
N-pentyl-4-propylbenzamide
CID 70894308
N-hexyl-4-propylbenzamide
CID 70894310
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
methyl 3-[[4-(4-butylphenyl)benzoyl]amino]propanoate
CID 144633275
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
2-[2-[(4-propylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 119241511
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide (CID 21361632) is N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide is CCCc1ccc(-c2ccc(C(=O)NCCC(C)(C)C)cc2)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide?
The InChIKey is AGRFBHWEJBGIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21(24)23-16-15-22(2,3)4/h7-14H,5-6,15-16H2,1-4H3,(H,23,24).
What are the key properties of N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide?
N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide has a molecular weight of 323.48 g/mol, XLogP of 5.47, 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)-4-(4-propylphenyl)benzamide is sourced from PubChem (CID 21361632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).