1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

C19H28N2O2 — CID 111116491

IUPAC1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC(c1ccccc1)N(CC(O)CN1CCCC1=O)CC1CC1
InChIInChI=1S/C19H28N2O2/c1-15(17-6-3-2-4-7-17)21(12-16-9-10-16)14-18(22)13-20-11-5-8-19(20)23/h2-4,6-7,15-16,18,22H,5,8-14H2,1H3
InChIKeyAGMPHZQJMHHQOR-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.44
Rot. Bonds8

About 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116491) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116491
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCC(c1ccccc1)N(CC(O)CN1CCCC1=O)CC1CC1
InChIInChI=1S/C19H28N2O2/c1-15(17-6-3-2-4-7-17)21(12-16-9-10-16)14-18(22)13-20-11-5-8-19(20)23/h2-4,6-7,15-16,18,22H,5,8-14H2,1H3
InChIKeyAGMPHZQJMHHQOR-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-[methyl-(2-methyl-1-phenylpropyl)amino]propyl]pyrrolidin-2-one
CID 111122268
1-[2-hydroxy-3-[(3-hydroxy-1-phenylpropyl)-methylamino]propyl]pyrrolidin-2-one
CID 111489131
1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea
CID 87005903
1-[3-[ethyl(2-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116400
1-[(2S)-3-benzylsulfonyl-2-hydroxypropyl]pyrrolidin-2-one
CID 1478646
1-[3-(benzylamino)-2-hydroxypropyl]pyrrolidin-2-one
CID 10957051
1-[3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116420
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
1-(3-carbazol-9-yl-2-hydroxypropyl)pyrrolidin-2-one
CID 118415489
1-[3-[ethyl-[(3-fluorophenyl)methyl]amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116350
1-[3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116380
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116491) is 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is CC(c1ccccc1)N(CC(O)CN1CCCC1=O)CC1CC1.
What is the InChIKey of 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is AGMPHZQJMHHQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(17-6-3-2-4-7-17)21(12-16-9-10-16)14-18(22)13-20-11-5-8-19(20)23/h2-4,6-7,15-16,18,22H,5,8-14H2,1H3.
What are the key properties of 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 316.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropylmethyl(1-phenylethyl)amino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).