N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide

C16H25N3O2 — CID 63107836

IUPACN-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCCC(=O)N(CC)CC
InChIInChI=1S/C16H25N3O2/c1-4-17-14-10-8-7-9-13(14)16(21)18-12-11-15(20)19(5-2)6-3/h7-10,17H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyOHHWBBSEPWKMNA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.11
Rot. Bonds8

About N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide

N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide (PubChem CID 63107836) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
PubChem CID63107836
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCCC(=O)N(CC)CC
InChIInChI=1S/C16H25N3O2/c1-4-17-14-10-8-7-9-13(14)16(21)18-12-11-15(20)19(5-2)6-3/h7-10,17H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyOHHWBBSEPWKMNA-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 ≤ 500291.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434
2-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 55047330
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
2-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 62180979
2-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185963
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
N,N-diethyl-2-(propylamino)benzamide
CID 62171276

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide (CID 63107836) is N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NCCC(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide?
The InChIKey is OHHWBBSEPWKMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-17-14-10-8-7-9-13(14)16(21)18-12-11-15(20)19(5-2)6-3/h7-10,17H,4-6,11-12H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide?
N-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide has a molecular weight of 291.39 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-[3-(diethylamino)-3-oxopropyl]-2-(ethylamino)benzamide is sourced from PubChem (CID 63107836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).