N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide

C16H25N3O2 — CID 60966022

IUPACN-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
SMILESCCN(CC)C(=O)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)15(20)12-17-10-11-18-16(21)14-8-6-13(3)7-9-14/h6-9,17H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyMSAJCOOPQYNJCG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.18
Rot. Bonds8

About N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide

N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide (PubChem CID 60966022) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
PubChem CID60966022
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
SMILESCCN(CC)C(=O)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)15(20)12-17-10-11-18-16(21)14-8-6-13(3)7-9-14/h6-9,17H,4-5,10-12H2,1-3H3,(H,18,21)
InChIKeyMSAJCOOPQYNJCG-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
N-[2-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]ethyl]-4-methylbenzamide
CID 106437521
N-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 170027016
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
CID 104668564
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846
N-[3-(diethylamino)-3-oxopropyl]-4-sulfanylbenzamide
CID 107034718
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide (CID 60966022) is N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide is CCN(CC)C(=O)CNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is MSAJCOOPQYNJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)15(20)12-17-10-11-18-16(21)14-8-6-13(3)7-9-14/h6-9,17H,4-5,10-12H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide?
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 291.39 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 60966022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).