N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide

C17H27N3O — CID 168514573

IUPACN-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-19(4-2)14-11-18-17(21)15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)
InChIKeyIDJZHPWAAUNAIT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide

N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide (PubChem CID 168514573) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
PubChem CID168514573
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-19(4-2)14-11-18-17(21)15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)
InChIKeyIDJZHPWAAUNAIT-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574612
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(diethylamino)ethyl]-4-[2-oxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]benzamide
CID 91185909
N-[2-(diethylamino)ethyl]-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55378354
N-[2-(diethylamino)ethyl]-4-(1,3,2-dioxaborinan-2-yl)benzamide
CID 10447730

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide (CID 168514573) is N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide is CCN(CC)CCNC(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is IDJZHPWAAUNAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19(4-2)14-11-18-17(21)15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide?
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168514573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).