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

C16H27N3O — CID 110464585

IUPAC3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-18(2)13-5-12-17-16(20)11-8-14-6-9-15(10-7-14)19(3)4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H,17,20)
InChIKeyIHZXVWJYCQRXQK-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.75
Rot. Bonds8

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

3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 110464585) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID110464585
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O/c1-18(2)13-5-12-17-16(20)11-8-14-6-9-15(10-7-14)19(3)4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H,17,20)
InChIKeyIHZXVWJYCQRXQK-UHFFFAOYSA-N
XLogP1.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
2-[4-(dimethylamino)-N-methylsulfonylanilino]-N-[3-(dimethylamino)propyl]acetamide
CID 113156119
N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
CID 166378581
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide (CID 110464585) is 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is IHZXVWJYCQRXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(2)13-5-12-17-16(20)11-8-14-6-9-15(10-7-14)19(3)4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H,17,20).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 110464585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).