N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide

C20H22N4O — CID 110437164

IUPACN-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)14-8-10-15(11-9-14)24-18(25)12-21-19-16-6-4-5-7-17(16)22-13-23-19/h4-11,13H,12H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyYFBRXYVJCMEQOI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.98
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide

N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide (PubChem CID 110437164) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
PubChem CID110437164
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-20(2,3)14-8-10-15(11-9-14)24-18(25)12-21-19-16-6-4-5-7-17(16)22-13-23-19/h4-11,13H,12H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyYFBRXYVJCMEQOI-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437127
N-(4-tert-butylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437388
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
CID 21002376
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-(2-bromoprop-2-enyl)quinazolin-4-amine
CID 115594968
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide (CID 110437164) is N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide is CC(C)(C)c1ccc(NC(=O)CNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide?
The InChIKey is YFBRXYVJCMEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,3)14-8-10-15(11-9-14)24-18(25)12-21-19-16-6-4-5-7-17(16)22-13-23-19/h4-11,13H,12H2,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide?
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide is sourced from PubChem (CID 110437164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).