N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide

C16H27N3O2 — CID 119885809

IUPACN-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-17-10-5-9-16(20)18-14-7-4-8-15(13-14)21-12-6-11-19(2)3/h4,7-8,13,17H,5-6,9-12H2,1-3H3,(H,18,20)
InChIKeyNABVJCXCAHKFOW-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.96
Rot. Bonds10

About N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide

N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide (PubChem CID 119885809) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
PubChem CID119885809
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-17-10-5-9-16(20)18-14-7-4-8-15(13-14)21-12-6-11-19(2)3/h4,7-8,13,17H,5-6,9-12H2,1-3H3,(H,18,20)
InChIKeyNABVJCXCAHKFOW-UHFFFAOYSA-N
XLogP1.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
methyl 2-[3-[4-(methylamino)butanoylamino]phenoxy]acetate
CID 119713738
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
CID 56553165
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
CID 120596891
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide (CID 119885809) is N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1cccc(OCCCN(C)C)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide?
The InChIKey is NABVJCXCAHKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-10-5-9-16(20)18-14-7-4-8-15(13-14)21-12-6-11-19(2)3/h4,7-8,13,17H,5-6,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide?
N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide has a molecular weight of 293.41 g/mol, XLogP of 1.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119885809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).