3-(4-tert-butylphenyl)-3-(propylamino)propanamide

C16H26N2O — CID 65236000

IUPAC3-(4-tert-butylphenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-10-18-14(11-15(17)19)12-6-8-13(9-7-12)16(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3,(H2,17,19)
InChIKeyYIPRJFVJDZLNEY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds6

About 3-(4-tert-butylphenyl)-3-(propylamino)propanamide

3-(4-tert-butylphenyl)-3-(propylamino)propanamide (PubChem CID 65236000) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-3-(propylamino)propanamide
PubChem CID65236000
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4-tert-butylphenyl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-5-10-18-14(11-15(17)19)12-6-8-13(9-7-12)16(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3,(H2,17,19)
InChIKeyYIPRJFVJDZLNEY-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(4-tert-butylphenyl)-3-(propylamino)propanoate
CID 65235735
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
3-phenyl-3-(propylamino)propanamide
CID 65235689
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
1-(4-tert-butylphenyl)-N-propylethane-1,2-diamine
CID 62066764
3-(3,4-dimethylphenyl)-3-(propylamino)propanamide
CID 65235384
3-(3-methylphenyl)-3-(propylamino)propanamide
CID 65235426
methyl 3-(propylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 65235964
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
1-(4-tert-butylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 55085543
1-(4-tert-butylphenyl)-N-propylhex-4-yn-1-amine
CID 105037317

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-3-(propylamino)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-3-(propylamino)propanamide (CID 65236000) is 3-(4-tert-butylphenyl)-3-(propylamino)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-3-(propylamino)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-3-(propylamino)propanamide?
The InChIKey is YIPRJFVJDZLNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-10-18-14(11-15(17)19)12-6-8-13(9-7-12)16(2,3)4/h6-9,14,18H,5,10-11H2,1-4H3,(H2,17,19).
What are the key properties of 3-(4-tert-butylphenyl)-3-(propylamino)propanamide?
3-(4-tert-butylphenyl)-3-(propylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-3-(propylamino)propanamide is sourced from PubChem (CID 65236000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).