N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide

C19H30N2O5 — CID 15205514

IUPACN-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(OC)c(NC(=O)C(C)(C)C)c1OC
InChIInChI=1S/C19H30N2O5/c1-18(2,3)16(22)20-11-10-12(24-7)15(26-9)13(14(11)25-8)21-17(23)19(4,5)6/h10H,1-9H3,(H,20,22)(H,21,23)
InChIKeyHKIBNBMCFYVBKG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.68
Rot. Bonds5

About N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide

N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 15205514) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide
PubChem CID15205514
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC NameN-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(NC(=O)C(C)(C)C)c(OC)c(NC(=O)C(C)(C)C)c1OC
InChIInChI=1S/C19H30N2O5/c1-18(2,3)16(22)20-11-10-12(24-7)15(26-9)13(14(11)25-8)21-17(23)19(4,5)6/h10H,1-9H3,(H,20,22)(H,21,23)
InChIKeyHKIBNBMCFYVBKG-UHFFFAOYSA-N
XLogP3.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119630528
N-[5-(hydrazinecarbonyl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 15509074
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
CID 119943103
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
N-(2-chloro-3-formyl-4,6-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 15710031
N-[2,5-dimethoxy-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2,2-dimethylpropanamide
CID 7141209
2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]-methylamino]propanoic acid
CID 119358791
2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 30671146

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide (CID 15205514) is N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide is COc1cc(NC(=O)C(C)(C)C)c(OC)c(NC(=O)C(C)(C)C)c1OC.
What is the InChIKey of N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is HKIBNBMCFYVBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-18(2,3)16(22)20-11-10-12(24-7)15(26-9)13(14(11)25-8)21-17(23)19(4,5)6/h10H,1-9H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide?
N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoylamino)-2,4,5-trimethoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 15205514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).