2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide

C15H25N3O — CID 61449191

IUPAC2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
SMILESCCCNCc1ccc(N(CC)CC(=O)NC)cc1
InChIInChI=1S/C15H25N3O/c1-4-10-17-11-13-6-8-14(9-7-13)18(5-2)12-15(19)16-3/h6-9,17H,4-5,10-12H2,1-3H3,(H,16,19)
InChIKeyPNIUTDGJXYXWRF-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds8

About 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide

2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide (PubChem CID 61449191) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
PubChem CID61449191
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
SMILESCCCNCc1ccc(N(CC)CC(=O)NC)cc1
InChIInChI=1S/C15H25N3O/c1-4-10-17-11-13-6-8-14(9-7-13)18(5-2)12-15(19)16-3/h6-9,17H,4-5,10-12H2,1-3H3,(H,16,19)
InChIKeyPNIUTDGJXYXWRF-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.76
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'}

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Related Compounds

2-[N-ethyl-4-[(2-methoxyethylamino)methyl]anilino]-N-methylacetamide
CID 63070315
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
CID 43281999
N-methyl-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630091
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
CID 43398896
N,N-diethyl-4-[(2-phenylethylamino)methyl]aniline;oxalic acid
CID 163327241
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide?
The IUPAC name of 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide (CID 61449191) is 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide?
The canonical SMILES for 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide is CCCNCc1ccc(N(CC)CC(=O)NC)cc1.
What is the InChIKey of 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide?
The InChIKey is PNIUTDGJXYXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-10-17-11-13-6-8-14(9-7-13)18(5-2)12-15(19)16-3/h6-9,17H,4-5,10-12H2,1-3H3,(H,16,19).
What are the key properties of 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide?
2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 61449191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).