N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide

C19H31N3O2 — CID 154765031

IUPACN-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide
SMILESCC(COCC(=O)Nc1ccc(CCN(C)C)cc1)N1CCCC1
InChIInChI=1S/C19H31N3O2/c1-16(22-11-4-5-12-22)14-24-15-19(23)20-18-8-6-17(7-9-18)10-13-21(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)
InChIKeyCBIOSKICPPONRW-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.23
Rot. Bonds9

About N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide

N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide (PubChem CID 154765031) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide
PubChem CID154765031
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide
SMILESCC(COCC(=O)Nc1ccc(CCN(C)C)cc1)N1CCCC1
InChIInChI=1S/C19H31N3O2/c1-16(22-11-4-5-12-22)14-24-15-19(23)20-18-8-6-17(7-9-18)10-13-21(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)
InChIKeyCBIOSKICPPONRW-UHFFFAOYSA-N
XLogP2.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
N,N-dimethyl-2-(2-pyrrolidin-1-ylpropoxy)ethanamine
CID 172611843
N-[4-[2-(dimethylamino)ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 126829256
2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
CID 126836207
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
N,N-dimethyl-3-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]propanamide
CID 54815065
dimethyl (E)-2-[4-[2-(dimethylamino)ethyl]anilino]but-2-enedioate
CID 168568822
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8584049
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ylpropanamide
CID 8894647
N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
CID 55917102

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide (CID 154765031) is N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide is CC(COCC(=O)Nc1ccc(CCN(C)C)cc1)N1CCCC1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide?
The InChIKey is CBIOSKICPPONRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(22-11-4-5-12-22)14-24-15-19(23)20-18-8-6-17(7-9-18)10-13-21(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide?
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethyl]phenyl]-2-(2-pyrrolidin-1-ylpropoxy)acetamide is sourced from PubChem (CID 154765031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).