N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide

C24H29N5O3 — CID 3239366

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
SMILESCCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1
InChIInChI=1S/C24H29N5O3/c1-3-28(19-9-6-8-18(2)14-19)13-7-12-25-22(30)15-26-23(31)16-29-17-27-21-11-5-4-10-20(21)24(29)32/h4-6,8-11,14,17H,3,7,12-13,15-16H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyXITLIFCXHDVXQK-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.85
Rot. Bonds10

About N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide

N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide (PubChem CID 3239366) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
PubChem CID3239366
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
SMILESCCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1
InChIInChI=1S/C24H29N5O3/c1-3-28(19-9-6-8-18(2)14-19)13-7-12-25-22(30)15-26-23(31)16-29-17-27-21-11-5-4-10-20(21)24(29)32/h4-6,8-11,14,17H,3,7,12-13,15-16H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyXITLIFCXHDVXQK-UHFFFAOYSA-N
XLogP1.85
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide (CID 3239366) is N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide is CCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
The InChIKey is XITLIFCXHDVXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-28(19-9-6-8-18(2)14-19)13-7-12-25-22(30)15-26-23(31)16-29-17-27-21-11-5-4-10-20(21)24(29)32/h4-6,8-11,14,17H,3,7,12-13,15-16H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide has a molecular weight of 435.53 g/mol, XLogP of 1.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide is sourced from PubChem (CID 3239366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).