N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide

C17H27N3O2 — CID 50963110

IUPACN'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide
SMILESCCc1cccc(NC(=O)CCC(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-14-7-6-8-15(11-14)19-17(22)10-9-16(21)18-13(2)12-20(3)4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyGEOKNDRAVAYEQV-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.03
Rot. Bonds8

About N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide

N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide (PubChem CID 50963110) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide
PubChem CID50963110
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide
SMILESCCc1cccc(NC(=O)CCC(=O)NC(C)CN(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-14-7-6-8-15(11-14)19-17(22)10-9-16(21)18-13(2)12-20(3)4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyGEOKNDRAVAYEQV-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylanilino)-N-pentan-2-ylacetamide
CID 60688098
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide
CID 50971913
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
5-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 82011163
2-[[amino-(butan-2-ylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930363
2-(3-ethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60688155
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061

Frequently Asked Questions

What is the IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide?
The IUPAC name of N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide (CID 50963110) is N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide.
What is the SMILES notation for N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide?
The canonical SMILES for N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide is CCc1cccc(NC(=O)CCC(=O)NC(C)CN(C)C)c1.
What is the InChIKey of N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide?
The InChIKey is GEOKNDRAVAYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-14-7-6-8-15(11-14)19-17(22)10-9-16(21)18-13(2)12-20(3)4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide?
N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide has a molecular weight of 305.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide is sourced from PubChem (CID 50963110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).