N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide

C20H26N2O2 — CID 16889377

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)24-19-11-7-17(8-12-19)20(23)21-14-13-16-5-9-18(10-6-16)22(3)4/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyXJOGISQVVVMMJO-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.51
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide (PubChem CID 16889377) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
PubChem CID16889377
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)24-19-11-7-17(8-12-19)20(23)21-14-13-16-5-9-18(10-6-16)22(3)4/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyXJOGISQVVVMMJO-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33156547
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
N-[2-(3,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795396
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]propanoic acid
CID 68745701
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 33159433

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide (CID 16889377) is N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is XJOGISQVVVMMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)24-19-11-7-17(8-12-19)20(23)21-14-13-16-5-9-18(10-6-16)22(3)4/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 326.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 16889377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).