N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide

C17H29N3O — CID 62128436

IUPACN-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
SMILESCCCNCc1ccc(N(CCC)CC(=O)NC)cc1C
InChIInChI=1S/C17H29N3O/c1-5-9-19-12-15-7-8-16(11-14(15)3)20(10-6-2)13-17(21)18-4/h7-8,11,19H,5-6,9-10,12-13H2,1-4H3,(H,18,21)
InChIKeyDTPNFGSNPMHYBZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.46
Rot. Bonds9

About N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide

N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide (PubChem CID 62128436) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
PubChem CID62128436
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
SMILESCCCNCc1ccc(N(CCC)CC(=O)NC)cc1C
InChIInChI=1S/C17H29N3O/c1-5-9-19-12-15-7-8-16(11-14(15)3)20(10-6-2)13-17(21)18-4/h7-8,11,19H,5-6,9-10,12-13H2,1-4H3,(H,18,21)
InChIKeyDTPNFGSNPMHYBZ-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.46
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-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
2-[4-[(2-methoxyethylamino)methyl]-N,3-dimethylanilino]-N-methylacetamide
CID 63058604
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
CID 62136249
2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
CID 61449191
2-amino-4-[[2-(methylamino)-2-oxoethyl]-propylamino]benzoic acid
CID 104500433
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 62134332
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
2-[N-(2-amino-2-oxoethyl)-3-methyl-4-(methylaminomethyl)anilino]acetamide
CID 62923686
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline;(4-ethyl-2-methylphenyl)methanamine
CID 145098743

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide?
The IUPAC name of N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide (CID 62128436) is N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide.
What is the SMILES notation for N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide?
The canonical SMILES for N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide is CCCNCc1ccc(N(CCC)CC(=O)NC)cc1C.
What is the InChIKey of N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide?
The InChIKey is DTPNFGSNPMHYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-9-19-12-15-7-8-16(11-14(15)3)20(10-6-2)13-17(21)18-4/h7-8,11,19H,5-6,9-10,12-13H2,1-4H3,(H,18,21).
What are the key properties of N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide?
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide is sourced from PubChem (CID 62128436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).