N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

C28H34N4O5 — CID 3185125

IUPACN-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCOc1cc(C(C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)c2cnccn2)cc(OC)c1OC
InChIInChI=1S/C28H34N4O5/c1-28(2,3)31-26(33)24(20-16-22(35-4)25(37-6)23(17-20)36-5)32(15-12-19-10-8-7-9-11-19)27(34)21-18-29-13-14-30-21/h7-11,13-14,16-18,24H,12,15H2,1-6H3,(H,31,33)
InChIKeyQVOCRULPWIERHV-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.84
Rot. Bonds10

About N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 3185125) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID3185125
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCOc1cc(C(C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)c2cnccn2)cc(OC)c1OC
InChIInChI=1S/C28H34N4O5/c1-28(2,3)31-26(33)24(20-16-22(35-4)25(37-6)23(17-20)36-5)32(15-12-19-10-8-7-9-11-19)27(34)21-18-29-13-14-30-21/h7-11,13-14,16-18,24H,12,15H2,1-6H3,(H,31,33)
InChIKeyQVOCRULPWIERHV-UHFFFAOYSA-N
XLogP3.84
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 650692
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[2-(3-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 98093939
N-[2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-phenylpyrazine-2-carboxamide
CID 3188494
N-[(1S)-2-(benzylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 40652149
N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 23877700
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 93473341
N-[2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 3184635
N-[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 25303346
N-[2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 3188488
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184757
N-[(1S)-2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(3-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1174495
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenylethyl)amino]-N-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 98102621

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 3185125) is N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is COc1cc(C(C(=O)NC(C)(C)C)N(CCc2ccccc2)C(=O)c2cnccn2)cc(OC)c1OC.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is QVOCRULPWIERHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-28(2,3)31-26(33)24(20-16-22(35-4)25(37-6)23(17-20)36-5)32(15-12-19-10-8-7-9-11-19)27(34)21-18-29-13-14-30-21/h7-11,13-14,16-18,24H,12,15H2,1-6H3,(H,31,33).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 506.60 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3185125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).