N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide

C30H33N3O5 — CID 42722478

IUPACN-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
SMILESCCOc1ccccc1-n1c(C(C)N(CCOC)C(=O)COCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C30H33N3O5/c1-4-38-27-17-11-10-16-26(27)33-29(31-25-15-9-8-14-24(25)30(33)35)22(2)32(18-19-36-3)28(34)21-37-20-23-12-6-5-7-13-23/h5-17,22H,4,18-21H2,1-3H3
InChIKeyHGVFXHBCNRTLGX-UHFFFAOYSA-N
MW515.61 g/mol
LogP4.54
Rot. Bonds12

About N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide (PubChem CID 42722478) has the molecular formula C30H33N3O5 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
PubChem CID42722478
Molecular FormulaC30H33N3O5
Molecular Weight515.61 g/mol
Exact Mass515.24
IUPAC NameN-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
SMILESCCOc1ccccc1-n1c(C(C)N(CCOC)C(=O)COCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C30H33N3O5/c1-4-38-27-17-11-10-16-26(27)33-29(31-25-15-9-8-14-24(25)30(33)35)22(2)32(18-19-36-3)28(34)21-37-20-23-12-6-5-7-13-23/h5-17,22H,4,18-21H2,1-3H3
InChIKeyHGVFXHBCNRTLGX-UHFFFAOYSA-N
XLogP4.54
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2,2-diphenylacetamide
CID 42722470
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 42721390
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42729114
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
CID 4688416
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentyl-2,2-diphenylacetamide
CID 42722539
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
CID 42722454
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 42722210

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide (CID 42722478) is N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide is CCOc1ccccc1-n1c(C(C)N(CCOC)C(=O)COCc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
The InChIKey is HGVFXHBCNRTLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O5/c1-4-38-27-17-11-10-16-26(27)33-29(31-25-15-9-8-14-24(25)30(33)35)22(2)32(18-19-36-3)28(34)21-37-20-23-12-6-5-7-13-23/h5-17,22H,4,18-21H2,1-3H3.
What are the key properties of N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide?
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide has a molecular weight of 515.61 g/mol, XLogP of 4.54, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 42722478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).