N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide

C18H23N3O — CID 141036674

IUPACN-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C18H23N3O/c1-21(2)13-12-18(22)20-17-10-8-16(9-11-17)19-14-15-6-4-3-5-7-15/h3-11,19H,12-14H2,1-2H3,(H,20,22)
InChIKeyLUNJRUNXFXQKER-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.19
Rot. Bonds7

About N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide

N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide (PubChem CID 141036674) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
PubChem CID141036674
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C18H23N3O/c1-21(2)13-12-18(22)20-17-10-8-16(9-11-17)19-14-15-6-4-3-5-7-15/h3-11,19H,12-14H2,1-2H3,(H,20,22)
InChIKeyLUNJRUNXFXQKER-UHFFFAOYSA-N
XLogP3.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839252
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
[4-(benzylamino)phenyl]urea
CID 43744943
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
3-[benzyl(methyl)amino]-N-(4-bromophenyl)propanamide;hydrochloride
CID 90483527
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide?
The IUPAC name of N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide (CID 141036674) is N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide.
What is the SMILES notation for N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide?
The canonical SMILES for N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide?
The InChIKey is LUNJRUNXFXQKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(2)13-12-18(22)20-17-10-8-16(9-11-17)19-14-15-6-4-3-5-7-15/h3-11,19H,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide?
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide is sourced from PubChem (CID 141036674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).