(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide

C22H24N4O3 — CID 135821026

IUPAC(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-3-26(14-20-24-18-12-8-7-11-17(18)22(29)25-20)21(28)13-19(23-15(2)27)16-9-5-4-6-10-16/h4-12,19H,3,13-14H2,1-2H3,(H,23,27)(H,24,25,29)/t19-/m1/s1
InChIKeyPRXCAVSFUOFAOX-LJQANCHMSA-N
MW392.46 g/mol
LogP2.54
Rot. Bonds7

About (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide

(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 135821026) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
PubChem CID135821026
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-3-26(14-20-24-18-12-8-7-11-17(18)22(29)25-20)21(28)13-19(23-15(2)27)16-9-5-4-6-10-16/h4-12,19H,3,13-14H2,1-2H3,(H,23,27)(H,24,25,29)/t19-/m1/s1
InChIKeyPRXCAVSFUOFAOX-LJQANCHMSA-N
XLogP2.54
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide 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

(3S)-3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135891568
3-acetamido-3-(4-bromophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 136935246
(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135877147
(3S)-3-acetamido-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135958561
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
(3R)-3-acetamido-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 135953944
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137315315
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 137017001
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-phenylbutanamide
CID 135903797
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide (CID 135821026) is (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is PRXCAVSFUOFAOX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-26(14-20-24-18-12-8-7-11-17(18)22(29)25-20)21(28)13-19(23-15(2)27)16-9-5-4-6-10-16/h4-12,19H,3,13-14H2,1-2H3,(H,23,27)(H,24,25,29)/t19-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide?
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 392.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 135821026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).