N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide

C29H39N3O3 — CID 42715420

IUPACN-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
SMILESCCCCCCCCCC(=O)N(CCOC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H39N3O3/c1-4-5-6-7-8-9-13-20-27(33)31(21-22-35-3)23(2)28-30-26-19-15-14-18-25(26)29(34)32(28)24-16-11-10-12-17-24/h10-12,14-19,23H,4-9,13,20-22H2,1-3H3
InChIKeyWAXXJYRNJTWXNR-UHFFFAOYSA-N
MW477.65 g/mol
LogP6.06
Rot. Bonds14

About N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide

N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide (PubChem CID 42715420) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
PubChem CID42715420
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC NameN-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
SMILESCCCCCCCCCC(=O)N(CCOC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C29H39N3O3/c1-4-5-6-7-8-9-13-20-27(33)31(21-22-35-3)23(2)28-30-26-19-15-14-18-25(26)29(34)32(28)24-16-11-10-12-17-24/h10-12,14-19,23H,4-9,13,20-22H2,1-3H3
InChIKeyWAXXJYRNJTWXNR-UHFFFAOYSA-N
XLogP6.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42715926
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721462
N-(2-methoxyethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 4300906
N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-N-pentylnonanamide
CID 11612608
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)nonanamide
CID 42727899
N-hexyl-N-[(1R)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 98429512
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylnonanamide
CID 4661331
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylheptanamide
CID 42716390
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylhexanamide
CID 42721882
N-(6-aminohexyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 3647553
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]nonanamide
CID 5030431

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide (CID 42715420) is N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide is CCCCCCCCCC(=O)N(CCOC)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide?
The InChIKey is WAXXJYRNJTWXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-4-5-6-7-8-9-13-20-27(33)31(21-22-35-3)23(2)28-30-26-19-15-14-18-25(26)29(34)32(28)24-16-11-10-12-17-24/h10-12,14-19,23H,4-9,13,20-22H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide?
N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide has a molecular weight of 477.65 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide is sourced from PubChem (CID 42715420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).