4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid

C19H22N2O3 — CID 15491493

IUPAC4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
SMILESCN(C)c1cccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(2)17-7-4-6-15(13-17)19(24)20-16-11-9-14(10-12-16)5-3-8-18(22)23/h4,6-7,9-13H,3,5,8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZTNGOCKLOFPLDU-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.41
Rot. Bonds7

About 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid

4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid (PubChem CID 15491493) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
PubChem CID15491493
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid
SMILESCN(C)c1cccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-21(2)17-7-4-6-15(13-17)19(24)20-16-11-9-14(10-12-16)5-3-8-18(22)23/h4,6-7,9-13H,3,5,8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyZTNGOCKLOFPLDU-UHFFFAOYSA-N
XLogP3.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
4-[4-[(4-bromobenzoyl)amino]phenyl]butanoic acid
CID 18683979
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid?
The IUPAC name of 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid (CID 15491493) is 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid.
What is the SMILES notation for 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid?
The canonical SMILES for 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid is CN(C)c1cccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)c1.
What is the InChIKey of 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid?
The InChIKey is ZTNGOCKLOFPLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(2)17-7-4-6-15(13-17)19(24)20-16-11-9-14(10-12-16)5-3-8-18(22)23/h4,6-7,9-13H,3,5,8H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid?
4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid has a molecular weight of 326.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(dimethylamino)benzoyl]amino]phenyl]butanoic acid is sourced from PubChem (CID 15491493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).