N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide

C17H26N2O2 — CID 110300026

IUPACN,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
SMILESCC(C)CCNC(=O)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)11-12-18-16(20)10-7-14-5-8-15(9-6-14)17(21)19(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,20)
InChIKeyVTVNRWNGMCULNP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds7

About N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide

N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide (PubChem CID 110300026) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
PubChem CID110300026
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
SMILESCC(C)CCNC(=O)CCc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)11-12-18-16(20)10-7-14-5-8-15(9-6-14)17(21)19(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,20)
InChIKeyVTVNRWNGMCULNP-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110309561
4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110617836
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110307736
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
4-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040919
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
4-[3-[[2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110301959
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
4-[3-(5-ethyl-2-methylanilino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110618310

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide (CID 110300026) is N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide is CC(C)CCNC(=O)CCc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide?
The InChIKey is VTVNRWNGMCULNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)11-12-18-16(20)10-7-14-5-8-15(9-6-14)17(21)19(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,20).
What are the key properties of N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide?
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 110300026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).