2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide

C29H31N3O2 — CID 42713483

IUPAC2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
SMILESCCCn1c(C(C)N(CCc2ccccc2)C(=O)c2ccccc2C)nc2ccccc2c1=O
InChIInChI=1S/C29H31N3O2/c1-4-19-32-27(30-26-17-11-10-16-25(26)29(32)34)22(3)31(20-18-23-13-6-5-7-14-23)28(33)24-15-9-8-12-21(24)2/h5-17,22H,4,18-20H2,1-3H3
InChIKeySDILWBWHIKWJEL-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.56
Rot. Bonds8

About 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide

2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide (PubChem CID 42713483) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
PubChem CID42713483
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
SMILESCCCn1c(C(C)N(CCc2ccccc2)C(=O)c2ccccc2C)nc2ccccc2c1=O
InChIInChI=1S/C29H31N3O2/c1-4-19-32-27(30-26-17-11-10-16-25(26)29(32)34)22(3)31(20-18-23-13-6-5-7-14-23)28(33)24-15-9-8-12-21(24)2/h5-17,22H,4,18-20H2,1-3H3
InChIKeySDILWBWHIKWJEL-UHFFFAOYSA-N
XLogP5.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide
CID 42713487
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-methyl-N-(2-phenylethyl)benzamide
CID 3629448
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
CID 42713266
N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42713696
1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713309
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide (CID 42713483) is 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide is CCCn1c(C(C)N(CCc2ccccc2)C(=O)c2ccccc2C)nc2ccccc2c1=O.
What is the InChIKey of 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide?
The InChIKey is SDILWBWHIKWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-4-19-32-27(30-26-17-11-10-16-25(26)29(32)34)22(3)31(20-18-23-13-6-5-7-14-23)28(33)24-15-9-8-12-21(24)2/h5-17,22H,4,18-20H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide?
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide has a molecular weight of 453.59 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 42713483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).