(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide

C16H25N3O3 — CID 94176718

IUPAC(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide
SMILESC[C@@H]1COCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C16H25N3O3/c1-13-12-21-10-8-19(13)16(20)17-11-14(15-5-4-9-22-15)18-6-2-3-7-18/h4-5,9,13-14H,2-3,6-8,10-12H2,1H3,(H,17,20)/t13-,14+/m1/s1
InChIKeyAVFUIGYTKNYJMQ-KGLIPLIRSA-N
MW307.39 g/mol
LogP1.85
Rot. Bonds4

About (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide

(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide (PubChem CID 94176718) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide
PubChem CID94176718
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide
SMILESC[C@@H]1COCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C16H25N3O3/c1-13-12-21-10-8-19(13)16(20)17-11-14(15-5-4-9-22-15)18-6-2-3-7-18/h4-5,9,13-14H,2-3,6-8,10-12H2,1H3,(H,17,20)/t13-,14+/m1/s1
InChIKeyAVFUIGYTKNYJMQ-KGLIPLIRSA-N
XLogP1.85
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
1-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94154069
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94154068
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 40752691
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide (CID 94176718) is (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide is C[C@@H]1COCCN1C(=O)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is AVFUIGYTKNYJMQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13-12-21-10-8-19(13)16(20)17-11-14(15-5-4-9-22-15)18-6-2-3-7-18/h4-5,9,13-14H,2-3,6-8,10-12H2,1H3,(H,17,20)/t13-,14+/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide?
(3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94176718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).