3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide

C16H26N2O2 — CID 60849225

IUPAC3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-11-20-14-8-6-7-13(12-14)18-15(19)9-10-17-16(2,3)4/h6-8,12,17H,5,9-11H2,1-4H3,(H,18,19)
InChIKeyHIIMTMJVAJGSOP-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds7

About 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide

3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide (PubChem CID 60849225) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
PubChem CID60849225
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
SMILESCCCOc1cccc(NC(=O)CCNC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-5-11-20-14-8-6-7-13(12-14)18-15(19)9-10-17-16(2,3)4/h6-8,12,17H,5,9-11H2,1-4H3,(H,18,19)
InChIKeyHIIMTMJVAJGSOP-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
2-(ethylamino)-N-(3-propoxyphenyl)acetamide
CID 54820704
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
CID 56553165
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide (CID 60849225) is 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide is CCCOc1cccc(NC(=O)CCNC(C)(C)C)c1.
What is the InChIKey of 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide?
The InChIKey is HIIMTMJVAJGSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-11-20-14-8-6-7-13(12-14)18-15(19)9-10-17-16(2,3)4/h6-8,12,17H,5,9-11H2,1-4H3,(H,18,19).
What are the key properties of 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide?
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide is sourced from PubChem (CID 60849225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).