N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide

C15H25N3O — CID 108995266

IUPACN-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NCCCN(C)C
InChIInChI=1S/C15H25N3O/c1-12-7-5-8-13(2)15(12)17-11-14(19)16-9-6-10-18(3)4/h5,7-8,17H,6,9-11H2,1-4H3,(H,16,19)
InChIKeyPATNFCGCLWFLDE-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.78
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide

N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide (PubChem CID 108995266) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
PubChem CID108995266
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
SMILESCc1cccc(C)c1NCC(=O)NCCCN(C)C
InChIInChI=1S/C15H25N3O/c1-12-7-5-8-13(2)15(12)17-11-14(19)16-9-6-10-18(3)4/h5,7-8,17H,6,9-11H2,1-4H3,(H,16,19)
InChIKeyPATNFCGCLWFLDE-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
2-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994657
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281
1-(2-chloro-6-methylphenyl)-3-[3-(dimethylamino)propyl]urea;hydrochloride
CID 3060919
3-(N-acetyl-2,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113124825
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
ethyl 4-[[2-[3-(dimethylamino)propylamino]-2-oxoethyl]amino]benzoate
CID 108995337
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide (CID 108995266) is N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide is Cc1cccc(C)c1NCC(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide?
The InChIKey is PATNFCGCLWFLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-7-5-8-13(2)15(12)17-11-14(19)16-9-6-10-18(3)4/h5,7-8,17H,6,9-11H2,1-4H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide?
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide is sourced from PubChem (CID 108995266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).