N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide

C19H25N3O — CID 91058778

IUPACN-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CN(C(C)=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O/c1-15(20-3)14-22(16(2)23)19-11-9-18(10-12-19)21-13-17-7-5-4-6-8-17/h4-12,15,20-21H,13-14H2,1-3H3
InChIKeyJPFOFDRHKSPNFF-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.26
Rot. Bonds7

About N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide

N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide (PubChem CID 91058778) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide
PubChem CID91058778
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CN(C(C)=O)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O/c1-15(20-3)14-22(16(2)23)19-11-9-18(10-12-19)21-13-17-7-5-4-6-8-17/h4-12,15,20-21H,13-14H2,1-3H3
InChIKeyJPFOFDRHKSPNFF-UHFFFAOYSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(benzylamino)phenyl]-2-methylpropanoic acid
CID 54156603
N'-[4-(benzylamino)phenyl]acetohydrazide
CID 21427829
4-(benzylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 95765057
2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]benzoic acid
CID 71339096
(2S)-2-amino-3-[4-(benzylamino)phenyl]propanoic acid
CID 59773787
tert-butyl 2-amino-3-[4-(benzylamino)phenyl]propanoate
CID 57170607
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 83962170
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
[4-(benzylamino)phenyl]urea
CID 43744943
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide?
The IUPAC name of N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide (CID 91058778) is N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide.
What is the SMILES notation for N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide?
The canonical SMILES for N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide is CNC(C)CN(C(C)=O)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide?
The InChIKey is JPFOFDRHKSPNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(20-3)14-22(16(2)23)19-11-9-18(10-12-19)21-13-17-7-5-4-6-8-17/h4-12,15,20-21H,13-14H2,1-3H3.
What are the key properties of N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide?
N-[4-(benzylamino)phenyl]-N-[2-(methylamino)propyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.26, 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]-N-[2-(methylamino)propyl]acetamide is sourced from PubChem (CID 91058778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).