3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide

C16H26N2O2 — CID 60928405

IUPAC3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNC(C)(C)C)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-6-20-13-7-8-14(12(2)11-13)18-15(19)9-10-17-16(3,4)5/h7-8,11,17H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyPPEIQULITWRCOZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.11
Rot. Bonds6

About 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide

3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide (PubChem CID 60928405) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
PubChem CID60928405
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNC(C)(C)C)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-6-20-13-7-8-14(12(2)11-13)18-15(19)9-10-17-16(3,4)5/h7-8,11,17H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyPPEIQULITWRCOZ-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine
CID 107445377
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
N-(4-bromo-2-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109039955
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927791
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide (CID 60928405) is 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide is CCOc1ccc(NC(=O)CCNC(C)(C)C)c(C)c1.
What is the InChIKey of 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide?
The InChIKey is PPEIQULITWRCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-20-13-7-8-14(12(2)11-13)18-15(19)9-10-17-16(3,4)5/h7-8,11,17H,6,9-10H2,1-5H3,(H,18,19).
What are the key properties of 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide?
3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 60928405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).