N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide

C17H25N3O2 — CID 120705840

IUPACN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CCN(C2CC2)C1c1cccc(OC)c1
InChIInChI=1S/C17H25N3O2/c1-18-11-16(21)19-15-8-9-20(13-6-7-13)17(15)12-4-3-5-14(10-12)22-2/h3-5,10,13,15,17-18H,6-9,11H2,1-2H3,(H,19,21)
InChIKeyMPYIOUXYZHCKKY-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.31
Rot. Bonds6

About N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide

N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide (PubChem CID 120705840) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide
PubChem CID120705840
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CCN(C2CC2)C1c1cccc(OC)c1
InChIInChI=1S/C17H25N3O2/c1-18-11-16(21)19-15-8-9-20(13-6-7-13)17(15)12-4-3-5-14(10-12)22-2/h3-5,10,13,15,17-18H,6-9,11H2,1-2H3,(H,19,21)
InChIKeyMPYIOUXYZHCKKY-UHFFFAOYSA-N
XLogP1.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 75499007
N-[(2R,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 166408983
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 98891363
N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 124616649
(2S,3S)-N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyloxolane-3-carboxamide
CID 97340503
(2R,3R)-N-[(2R,3R)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methyloxolane-3-carboxamide
CID 97340500
5-cyclopropyl-N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386462
N-[(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 97340499
(2S,3S)-1-cyclopropyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-methoxyphenyl)pyrrolidin-3-amine
CID 124852869
(2S,3S)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 98876721
4-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]-N-methyl-3-nitrobenzamide
CID 133441704
5-chloro-6-[[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 133441669

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide (CID 120705840) is N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide is CNCC(=O)NC1CCN(C2CC2)C1c1cccc(OC)c1.
What is the InChIKey of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
The InChIKey is MPYIOUXYZHCKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-11-16(21)19-15-8-9-20(13-6-7-13)17(15)12-4-3-5-14(10-12)22-2/h3-5,10,13,15,17-18H,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide?
N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3-methoxyphenyl)pyrrolidin-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 120705840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).