2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

C17H27ClN2O — CID 120607586

IUPAC2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCCN(C(=O)C(CC)c1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-12-19(15-10-11-18-13-15)17(20)16(4-2)14-8-6-5-7-9-14;/h5-9,15-16,18H,3-4,10-13H2,1-2H3;1H
InChIKeyFVEPTSZAYHHJQR-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.20
Rot. Bonds6

About 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 120607586) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID120607586
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCCCN(C(=O)C(CC)c1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-12-19(15-10-11-18-13-15)17(20)16(4-2)14-8-6-5-7-9-14;/h5-9,15-16,18H,3-4,10-13H2,1-2H3;1H
InChIKeyFVEPTSZAYHHJQR-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119824337
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
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N-propyl-2-pyridin-3-yl-N-pyrrolidin-3-ylpropanamide
CID 119530488
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
CID 64560589
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide
CID 63753534
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
3-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 120607586) is 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is CCCN(C(=O)C(CC)c1ccccc1)C1CCNC1.Cl.
What is the InChIKey of 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is FVEPTSZAYHHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-12-19(15-10-11-18-13-15)17(20)16(4-2)14-8-6-5-7-9-14;/h5-9,15-16,18H,3-4,10-13H2,1-2H3;1H.
What are the key properties of 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 120607586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).