N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide

C16H25N3O — CID 78922185

IUPACN-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
SMILESCN(C)c1ccc(CNCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)15-9-5-13(6-10-15)12-17-11-3-4-16(20)18-14-7-8-14/h5-6,9-10,14,17H,3-4,7-8,11-12H2,1-2H3,(H,18,20)
InChIKeyGAQCDJZDCSZGTN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.90
Rot. Bonds8

About N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide

N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide (PubChem CID 78922185) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
PubChem CID78922185
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
SMILESCN(C)c1ccc(CNCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H25N3O/c1-19(2)15-9-5-13(6-10-15)12-17-11-3-4-16(20)18-14-7-8-14/h5-6,9-10,14,17H,3-4,7-8,11-12H2,1-2H3,(H,18,20)
InChIKeyGAQCDJZDCSZGTN-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
CID 107685855
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
CID 114549618
N-[[4-(dimethylamino)phenyl]methyl]-4-(methylamino)butanamide
CID 61248604
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
CID 112729982

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide (CID 78922185) is N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide is CN(C)c1ccc(CNCCCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide?
The InChIKey is GAQCDJZDCSZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(2)15-9-5-13(6-10-15)12-17-11-3-4-16(20)18-14-7-8-14/h5-6,9-10,14,17H,3-4,7-8,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide?
N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide has a molecular weight of 275.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide is sourced from PubChem (CID 78922185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).