2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide

C19H29N3O — CID 119531410

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)N1CCc2ccccc2C1)C1CCNC1
InChIInChI=1S/C19H29N3O/c1-3-11-22(18-8-10-20-13-18)19(23)15(2)21-12-9-16-6-4-5-7-17(16)14-21/h4-7,15,18,20H,3,8-14H2,1-2H3
InChIKeyZZXPYWZARRLSLL-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.03
Rot. Bonds5

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119531410) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119531410
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)N1CCc2ccccc2C1)C1CCNC1
InChIInChI=1S/C19H29N3O/c1-3-11-22(18-8-10-20-13-18)19(23)15(2)21-12-9-16-6-4-5-7-17(16)14-21/h4-7,15,18,20H,3,8-14H2,1-2H3
InChIKeyZZXPYWZARRLSLL-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
2-(5-phenyltetrazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826421
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
N-(1-aminopropan-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpropanamide
CID 119583168
N-propyl-2-pyridin-3-yl-N-pyrrolidin-3-ylpropanamide
CID 119530488
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-propyl-N-pyrrolidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119531474
N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 119532727
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
1-(2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 63304419

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119531410) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)C(C)N1CCc2ccccc2C1)C1CCNC1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is ZZXPYWZARRLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-11-22(18-8-10-20-13-18)19(23)15(2)21-12-9-16-6-4-5-7-17(16)14-21/h4-7,15,18,20H,3,8-14H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 315.46 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119531410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).