N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide

C14H22N2O2 — CID 60776294

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-6-14(17)15-12-7-5-8-13(11-12)18-10-9-16(2)3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,15,17)
InChIKeyXYUPGHDCLODASV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.37
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide

N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide (PubChem CID 60776294) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
PubChem CID60776294
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-6-14(17)15-12-7-5-8-13(11-12)18-10-9-16(2)3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,15,17)
InChIKeyXYUPGHDCLODASV-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(3-propoxyphenyl)acetamide
CID 54843924
2-(butan-2-ylamino)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 60852855
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
CID 119885809
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
CID 81070538
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(azetidin-3-yl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 64618376
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
N-(3-propoxyphenyl)-N',N'-dipropylpentanediamide
CID 56553165

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide (CID 60776294) is N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide is CCCC(=O)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide?
The InChIKey is XYUPGHDCLODASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-6-14(17)15-12-7-5-8-13(11-12)18-10-9-16(2)3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide?
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide is sourced from PubChem (CID 60776294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).