N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide

C15H25N3O — CID 109012874

IUPACN-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)11-16-10-9-15(19)17-13-5-7-14(8-6-13)18(3)4/h5-8,12,16H,9-11H2,1-4H3,(H,17,19)
InChIKeyIUYRANJAUCGEAG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.33
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide

N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide (PubChem CID 109012874) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
PubChem CID109012874
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
SMILESCC(C)CNCCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)11-16-10-9-15(19)17-13-5-7-14(8-6-13)18(3)4/h5-8,12,16H,9-11H2,1-4H3,(H,17,19)
InChIKeyIUYRANJAUCGEAG-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
CID 40803430
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
CID 109012855
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide (CID 109012874) is N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide is CC(C)CNCCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide?
The InChIKey is IUYRANJAUCGEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)11-16-10-9-15(19)17-13-5-7-14(8-6-13)18(3)4/h5-8,12,16H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide?
N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).