N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide

C16H27N3O — CID 109016337

IUPACN-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
SMILESCCN(CCC(=O)NCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N3O/c1-5-19(15-8-6-7-14(2)13-15)11-9-16(20)17-10-12-18(3)4/h6-8,13H,5,9-12H2,1-4H3,(H,17,20)
InChIKeyLCXULUMXPYXJIT-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.89
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide (PubChem CID 109016337) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
PubChem CID109016337
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
SMILESCCN(CCC(=O)NCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N3O/c1-5-19(15-8-6-7-14(2)13-15)11-9-16(20)17-10-12-18(3)4/h6-8,13H,5,9-12H2,1-4H3,(H,17,20)
InChIKeyLCXULUMXPYXJIT-UHFFFAOYSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46654393
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
3-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023305
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
5-[2,6-di(propan-2-yl)phenyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-oxopentanamide
CID 143046276
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide (CID 109016337) is N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide is CCN(CCC(=O)NCCN(C)C)c1cccc(C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide?
The InChIKey is LCXULUMXPYXJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19(15-8-6-7-14(2)13-15)11-9-16(20)17-10-12-18(3)4/h6-8,13H,5,9-12H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide?
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide is sourced from PubChem (CID 109016337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).