N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C16H26N2O4 — CID 119522297

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)(C)CN)cc(OC)c1OC
InChIInChI=1S/C16H26N2O4/c1-16(2,10-17)18-14(19)7-6-11-8-12(20-3)15(22-5)13(9-11)21-4/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
InChIKeySSXFKTZEJDCTLQ-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.50
Rot. Bonds8

About N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 119522297) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID119522297
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)(C)CN)cc(OC)c1OC
InChIInChI=1S/C16H26N2O4/c1-16(2,10-17)18-14(19)7-6-11-8-12(20-3)15(22-5)13(9-11)21-4/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
InChIKeySSXFKTZEJDCTLQ-UHFFFAOYSA-N
XLogP1.50
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 82354510
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 9230271
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
3-(3,4-dimethoxyphenyl)-N-(2-methylpentan-2-yl)propanamide
CID 49366734
N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 119525101
N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119565765
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 119522297) is N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NC(C)(C)CN)cc(OC)c1OC.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is SSXFKTZEJDCTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-16(2,10-17)18-14(19)7-6-11-8-12(20-3)15(22-5)13(9-11)21-4/h8-9H,6-7,10,17H2,1-5H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 310.39 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 119522297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).