(2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

C16H26N2O3 — CID 94821466

IUPAC(2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCCO[C@@H](CC)C(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C16H26N2O3/c1-3-14(20-4-2)16(19)17-12-13(15-8-7-11-21-15)18-9-5-6-10-18/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyWCFSOPASUOKIJY-KBPBESRZSA-N
MW294.40 g/mol
LogP2.35
Rot. Bonds8

About (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide

(2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 94821466) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID94821466
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
SMILESCCO[C@@H](CC)C(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C16H26N2O3/c1-3-14(20-4-2)16(19)17-12-13(15-8-7-11-21-15)18-9-5-6-10-18/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyWCFSOPASUOKIJY-KBPBESRZSA-N
XLogP2.35
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentanamide
CID 107569214
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
2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxypropanamide
CID 81088845
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
(2R)-2-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 94956250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide (CID 94821466) is (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is CCO[C@@H](CC)C(=O)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is WCFSOPASUOKIJY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-14(20-4-2)16(19)17-12-13(15-8-7-11-21-15)18-9-5-6-10-18/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide?
(2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 294.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 94821466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).