4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide

C25H34N2O2 — CID 110307736

IUPAC4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCCCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-25(2,3)22-15-10-19(11-16-22)7-6-18-26-23(28)17-12-20-8-13-21(14-9-20)24(29)27(4)5/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,26,28)
InChIKeyXUERVBRQJCBRGE-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.37
Rot. Bonds8

About 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide

4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide (PubChem CID 110307736) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
PubChem CID110307736
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CCC(=O)NCCCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-25(2,3)22-15-10-19(11-16-22)7-6-18-26-23(28)17-12-20-8-13-21(14-9-20)24(29)27(4)5/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,26,28)
InChIKeyXUERVBRQJCBRGE-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4,4-dimethylpentylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110617836
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110309561
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
N-(3-aminopropyl)-5-(4-tert-butylphenyl)pentanamide
CID 119406266
5-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]pentanamide;hydrochloride
CID 119501450
N,N-dimethyl-4-(4-oxopentyl)benzamide
CID 10988164
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-tert-butylphenyl)propanamide
CID 110626354
2-[(4-tert-butylphenyl)methylamino]-N-(3-phenylpropyl)acetamide
CID 118398481
4-(4-tert-butylphenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110616007

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide (CID 110307736) is 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CCC(=O)NCCCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
The InChIKey is XUERVBRQJCBRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-25(2,3)22-15-10-19(11-16-22)7-6-18-26-23(28)17-12-20-8-13-21(14-9-20)24(29)27(4)5/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,26,28).
What are the key properties of 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide?
4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide has a molecular weight of 394.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-tert-butylphenyl)propylamino]-3-oxopropyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110307736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).