4-(4-tert-butylphenyl)butanamide

C14H21NO — CID 20619639

IUPAC4-(4-tert-butylphenyl)butanamide
SMILESCC(C)(C)c1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C14H21NO/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16)
InChIKeyYJHNBTQIAMEZFH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.79
Rot. Bonds4

About 4-(4-tert-butylphenyl)butanamide

4-(4-tert-butylphenyl)butanamide (PubChem CID 20619639) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)butanamide
PubChem CID20619639
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(4-tert-butylphenyl)butanamide
SMILESCC(C)(C)c1ccc(CCCC(N)=O)cc1
InChIInChI=1S/C14H21NO/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16)
InChIKeyYJHNBTQIAMEZFH-UHFFFAOYSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)butanethioamide
CID 83928746
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
6-[4-(trifluoromethyl)phenyl]hexanamide
CID 66848410
3-(4-tert-butylphenyl)propanethioamide
CID 82080145
4-(4-methylsulfonylphenyl)butanamide
CID 66848825
4-(4-tert-butylphenoxy)butanamide
CID 82041345
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
4-[4-(2-isocyanopropan-2-ylamino)phenyl]butanamide
CID 123828688
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793
N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
CID 119406266

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)butanamide?
The IUPAC name of 4-(4-tert-butylphenyl)butanamide (CID 20619639) is 4-(4-tert-butylphenyl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)butanamide is CC(C)(C)c1ccc(CCCC(N)=O)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)butanamide?
The InChIKey is YJHNBTQIAMEZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)12-9-7-11(8-10-12)5-4-6-13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-tert-butylphenyl)butanamide?
4-(4-tert-butylphenyl)butanamide has a molecular weight of 219.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)butanamide is sourced from PubChem (CID 20619639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).