N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C19H26N4O3 — CID 31213209

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C19H26N4O3/c1-6-22(10-15(24)21-19(3,4)5)16(25)11-23-12-20-17-13(2)8-7-9-14(17)18(23)26/h7-9,12H,6,10-11H2,1-5H3,(H,21,24)
InChIKeyVTLXGZQKYFVZOC-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.47
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 31213209) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID31213209
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C19H26N4O3/c1-6-22(10-15(24)21-19(3,4)5)16(25)11-23-12-20-17-13(2)8-7-9-14(17)18(23)26/h7-9,12H,6,10-11H2,1-5H3,(H,21,24)
InChIKeyVTLXGZQKYFVZOC-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 134032469
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575810
N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
CID 46550497
ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate
CID 55726466
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CID 24529289
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912
N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 134032634
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 27873413
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 31213209) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)Cn1cnc2c(C)cccc2c1=O.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VTLXGZQKYFVZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-6-22(10-15(24)21-19(3,4)5)16(25)11-23-12-20-17-13(2)8-7-9-14(17)18(23)26/h7-9,12H,6,10-11H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 31213209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).