3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide

C16H26N2O4 — CID 109031433

IUPAC3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C16H26N2O4/c1-16(2,3)17-8-7-14(19)18-11-9-12(20-4)15(22-6)13(10-11)21-5/h9-10,17H,7-8H2,1-6H3,(H,18,19)
InChIKeyPDHCRPQWRBOULX-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.43
Rot. Bonds7

About 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 109031433) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID109031433
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNC(C)(C)C)cc(OC)c1OC
InChIInChI=1S/C16H26N2O4/c1-16(2,3)17-8-7-14(19)18-11-9-12(20-4)15(22-6)13(10-11)21-5/h9-10,17H,7-8H2,1-6H3,(H,18,19)
InChIKeyPDHCRPQWRBOULX-UHFFFAOYSA-N
XLogP2.43
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 109031433) is 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCNC(C)(C)C)cc(OC)c1OC.
What is the InChIKey of 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is PDHCRPQWRBOULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-16(2,3)17-8-7-14(19)18-11-9-12(20-4)15(22-6)13(10-11)21-5/h9-10,17H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 310.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 109031433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).