N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide

C27H29N3O3 — CID 135893565

IUPACN-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
SMILESO=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H29N3O3/c31-25(16-33-15-24-29-23-4-2-1-3-22(23)26(32)30-24)28-21-7-5-20(6-8-21)27-12-17-9-18(13-27)11-19(10-17)14-27/h1-8,17-19H,9-16H2,(H,28,31)(H,29,30,32)
InChIKeyZMGZYDVLFRCIAN-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.55
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide

N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide (PubChem CID 135893565) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
PubChem CID135893565
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
SMILESO=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H29N3O3/c31-25(16-33-15-24-29-23-4-2-1-3-22(23)26(32)30-24)28-21-7-5-20(6-8-21)27-12-17-9-18(13-27)11-19(10-17)14-27/h1-8,17-19H,9-16H2,(H,28,31)(H,29,30,32)
InChIKeyZMGZYDVLFRCIAN-UHFFFAOYSA-N
XLogP4.55
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9H-fluoren-2-yl)-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
CID 135907061
2-[(4-oxo-3H-quinazolin-2-yl)methoxy]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 135894096
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
2-[[5-(1-adamantyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 137153641
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782984
N-(4-hydroxyphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 176729757
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808191
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide
CID 135887554
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135625120
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135562074

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide (CID 135893565) is N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide is O=C(COCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
The InChIKey is ZMGZYDVLFRCIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c31-25(16-33-15-24-29-23-4-2-1-3-22(23)26(32)30-24)28-21-7-5-20(6-8-21)27-12-17-9-18(13-27)11-19(10-17)14-27/h1-8,17-19H,9-16H2,(H,28,31)(H,29,30,32).
What are the key properties of N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide?
N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide has a molecular weight of 443.55 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-2-[(4-oxo-3H-quinazolin-2-yl)methoxy]acetamide is sourced from PubChem (CID 135893565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).