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

C20H26N4O3 — CID 137315315

IUPAC2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(NC(C)=O)C1CCCC1
InChIInChI=1S/C20H26N4O3/c1-3-24(20(27)18(21-13(2)25)14-8-4-5-9-14)12-17-22-16-11-7-6-10-15(16)19(26)23-17/h6-7,10-11,14,18H,3-5,8-9,12H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyAAWNRKSIFDOGEU-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.97
Rot. Bonds6

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

2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 137315315) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID137315315
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(NC(C)=O)C1CCCC1
InChIInChI=1S/C20H26N4O3/c1-3-24(20(27)18(21-13(2)25)14-8-4-5-9-14)12-17-22-16-11-7-6-10-15(16)19(26)23-17/h6-7,10-11,14,18H,3-5,8-9,12H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyAAWNRKSIFDOGEU-UHFFFAOYSA-N
XLogP1.97
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide with MolForge

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Related Compounds

1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
3-cyclohexyl-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789332
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 137118075
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 137036977
4-(cyclohexylcarbamoylamino)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135974265
(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
trans-(1S,2S)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 137137328
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 137315315) is 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(NC(C)=O)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is AAWNRKSIFDOGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-24(20(27)18(21-13(2)25)14-8-4-5-9-14)12-17-22-16-11-7-6-10-15(16)19(26)23-17/h6-7,10-11,14,18H,3-5,8-9,12H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 137315315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).