N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide

C18H28N2O3 — CID 27682949

IUPACN-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCCCOCCCNC(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-4-5-10-23-11-6-9-19-17(21)13-20-18(22)16-8-7-14(2)15(3)12-16/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYJBJUJHRJOBKMF-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.36
Rot. Bonds10

About N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 27682949) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID27682949
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCCCOCCCNC(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-4-5-10-23-11-6-9-19-17(21)13-20-18(22)16-8-7-14(2)15(3)12-16/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYJBJUJHRJOBKMF-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.36
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

[2-oxo-2-(pentylamino)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 8574802
N-hexyl-3,4-dimethylbenzamide
CID 4523484
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
3-amino-N-(2-butoxyethyl)-4-methylbenzamide
CID 61169083
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-(3-butoxypropyl)-3-hydroxy-4-iodobenzamide
CID 104627387
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120534617
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18160821

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide (CID 27682949) is N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide is CCCCOCCCNC(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is YJBJUJHRJOBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-5-10-23-11-6-9-19-17(21)13-20-18(22)16-8-7-14(2)15(3)12-16/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 27682949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).