4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide

C18H29N3O3 — CID 54831987

IUPAC4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)NCCOC)cc1
InChIInChI=1S/C18H29N3O3/c1-4-11-21(12-5-2)18(23)15-6-8-16(9-7-15)20-14-17(22)19-10-13-24-3/h6-9,20H,4-5,10-14H2,1-3H3,(H,19,22)
InChIKeyONSQTZIPHSYCNN-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.12
Rot. Bonds11

About 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide

4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54831987) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
PubChem CID54831987
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)NCCOC)cc1
InChIInChI=1S/C18H29N3O3/c1-4-11-21(12-5-2)18(23)15-6-8-16(9-7-15)20-14-17(22)19-10-13-24-3/h6-9,20H,4-5,10-14H2,1-3H3,(H,19,22)
InChIKeyONSQTZIPHSYCNN-UHFFFAOYSA-N
XLogP2.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54835007
N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 54833878
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832241
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (CID 54831987) is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)NCCOC)cc1.
What is the InChIKey of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is ONSQTZIPHSYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-11-21(12-5-2)18(23)15-6-8-16(9-7-15)20-14-17(22)19-10-13-24-3/h6-9,20H,4-5,10-14H2,1-3H3,(H,19,22).
What are the key properties of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 335.45 g/mol, XLogP of 2.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54831987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).