N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide

C16H27N3O — CID 119831783

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(CCNC(=O)C(C)CNC)c1cccc(C)c1
InChIInChI=1S/C16H27N3O/c1-5-19(15-8-6-7-13(2)11-15)10-9-18-16(20)14(3)12-17-4/h6-8,11,14,17H,5,9-10,12H2,1-4H3,(H,18,20)
InChIKeyVUCDZRBZZPXYQB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.79
Rot. Bonds8

About N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119831783) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119831783
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(CCNC(=O)C(C)CNC)c1cccc(C)c1
InChIInChI=1S/C16H27N3O/c1-5-19(15-8-6-7-13(2)11-15)10-9-18-16(20)14(3)12-17-4/h6-8,11,14,17H,5,9-10,12H2,1-4H3,(H,18,20)
InChIKeyVUCDZRBZZPXYQB-UHFFFAOYSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[2-(N-ethyl-3-methylanilino)ethyl]-3-methylbutanamide
CID 25353106
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119853428
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine
CID 110919596
N-[(2S)-1-[2-(N-ethyl-3-methylanilino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55936357
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide (CID 119831783) is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide is CCN(CCNC(=O)C(C)CNC)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is VUCDZRBZZPXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19(15-8-6-7-13(2)11-15)10-9-18-16(20)14(3)12-17-4/h6-8,11,14,17H,5,9-10,12H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119831783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).