N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide

C16H25N3O2 — CID 54833878

IUPACN,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CNc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H25N3O2/c1-4-11-17-15(20)12-18-14-9-7-13(8-10-14)16(21)19(5-2)6-3/h7-10,18H,4-6,11-12H2,1-3H3,(H,17,20)
InChIKeyPTIDBXHMMIXKII-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.11
Rot. Bonds8

About N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide

N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide (PubChem CID 54833878) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
PubChem CID54833878
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
SMILESCCCNC(=O)CNc1ccc(C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H25N3O2/c1-4-11-17-15(20)12-18-14-9-7-13(8-10-14)16(21)19(5-2)6-3/h7-10,18H,4-6,11-12H2,1-3H3,(H,17,20)
InChIKeyPTIDBXHMMIXKII-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54831987
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
N-propyl-2-(4-propylanilino)acetamide
CID 43216175
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54811099
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834006
2-(4-phenylanilino)-N-propylacetamide
CID 47117859
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide (CID 54833878) is N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide is CCCNC(=O)CNc1ccc(C(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
The InChIKey is PTIDBXHMMIXKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-11-17-15(20)12-18-14-9-7-13(8-10-14)16(21)19(5-2)6-3/h7-10,18H,4-6,11-12H2,1-3H3,(H,17,20).
What are the key properties of N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide?
N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide has a molecular weight of 291.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide is sourced from PubChem (CID 54833878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).