N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C22H25N3O3 — CID 135429089

IUPACN-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCOc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)21(27)25(13-15-9-11-16(28-4)12-10-15)14-19-23-18-8-6-5-7-17(18)20(26)24-19/h5-12H,13-14H2,1-4H3,(H,23,24,26)
InChIKeyJBXBRZCQGFGYKG-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.51
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135429089) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
PubChem CID135429089
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
SMILESCOc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O3/c1-22(2,3)21(27)25(13-15-9-11-16(28-4)12-10-15)14-19-23-18-8-6-5-7-17(18)20(26)24-19/h5-12H,13-14H2,1-4H3,(H,23,24,26)
InChIKeyJBXBRZCQGFGYKG-UHFFFAOYSA-N
XLogP3.51
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135429089) is N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
The InChIKey is JBXBRZCQGFGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2,3)21(27)25(13-15-9-11-16(28-4)12-10-15)14-19-23-18-8-6-5-7-17(18)20(26)24-19/h5-12H,13-14H2,1-4H3,(H,23,24,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?
N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135429089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).