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

C15H23N3O2 — CID 110464584

IUPAC3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
SMILESCN(C)c1ccc(CCC(=O)NCCCNC=O)cc1
InChIInChI=1S/C15H23N3O2/c1-18(2)14-7-4-13(5-8-14)6-9-15(20)17-11-3-10-16-12-19/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUSXFCBHJTVQXIR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.94
Rot. Bonds9

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

3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide (PubChem CID 110464584) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
PubChem CID110464584
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
SMILESCN(C)c1ccc(CCC(=O)NCCCNC=O)cc1
InChIInChI=1S/C15H23N3O2/c1-18(2)14-7-4-13(5-8-14)6-9-15(20)17-11-3-10-16-12-19/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUSXFCBHJTVQXIR-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
CID 166378581
4-[3-(3-acetamidopropylamino)-3-oxopropyl]-N,N-dimethylbenzamide
CID 110309561
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
6-[[2-[4-(dimethylamino)phenyl]acetyl]amino]hexanoic acid
CID 57495425

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide (CID 110464584) is 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide is CN(C)c1ccc(CCC(=O)NCCCNC=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide?
The InChIKey is USXFCBHJTVQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)14-7-4-13(5-8-14)6-9-15(20)17-11-3-10-16-12-19/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide?
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide is sourced from PubChem (CID 110464584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).