3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide

C18H28N2O3 — CID 72858248

IUPAC3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide
SMILESC/C=C(\C)CN1C[C@H](NC(=O)CCOC)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C18H28N2O3/c1-5-13(2)10-20-11-15(17-7-6-14(3)23-17)16(12-20)19-18(21)8-9-22-4/h5-7,15-16H,8-12H2,1-4H3,(H,19,21)/b13-5+/t15-,16-/m0/s1
InChIKeySJBLFOAPSXMDEN-RIKNHUIHSA-N
MW320.43 g/mol
LogP2.47
Rot. Bonds7

About 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide

3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide (PubChem CID 72858248) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide
PubChem CID72858248
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide
SMILESC/C=C(\C)CN1C[C@H](NC(=O)CCOC)[C@@H](c2ccc(C)o2)C1
InChIInChI=1S/C18H28N2O3/c1-5-13(2)10-20-11-15(17-7-6-14(3)23-17)16(12-20)19-18(21)8-9-22-4/h5-7,15-16H,8-12H2,1-4H3,(H,19,21)/b13-5+/t15-,16-/m0/s1
InChIKeySJBLFOAPSXMDEN-RIKNHUIHSA-N
XLogP2.47
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Dihydro-benzofuran-7-carboxylic acid (1-ethyl-pyrrolidin-2-ylmethyl)-amide
CID 14528128
N-[(2S)-1-[[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-(furan-2-yl)-1-oxopropan-2-yl]decanamide
CID 122193068
4-[(2-Methyl-5-phenyl-furan-3-carbonyl)-amino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
CID 6476907
N-{(3S*,4R*)-1-[4-(5-methyl-2-furyl)benzoyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70716515
2-[4-(Furan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9921054
4-(3-acetylphenoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 51100214
N-[(3S*,4R*)-1-(2-furylmethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70708926
N-[(3S*,4R*)-1-(2-methyl-3-furoyl)-4-(4-methylphenyl)-3-pyrrolidinyl]cyclopropanecarboxamide
CID 70733657
(3S*,4R*)-1-[3-(2-furyl)propanoyl]-N,N-dimethyl-4-(4-methylphenyl)-3-pyrrolidinamine
CID 70745019
N-[(3S*,4R*)-1-(2,4-difluorobenzyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70773384
(3S*,4R*)-3-(acetylamino)-N-ethyl-4-(5-methyl-2-furyl)-1-pyrrolidinecarboxamide
CID 70778148
N-{(3S*,4R*)-1-[2-(2-furyl)benzyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70784449

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide (CID 72858248) is 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide is C/C=C(\C)CN1C[C@H](NC(=O)CCOC)[C@@H](c2ccc(C)o2)C1.
What is the InChIKey of 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is SJBLFOAPSXMDEN-RIKNHUIHSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-13(2)10-20-11-15(17-7-6-14(3)23-17)16(12-20)19-18(21)8-9-22-4/h5-7,15-16H,8-12H2,1-4H3,(H,19,21)/b13-5+/t15-,16-/m0/s1.
What are the key properties of 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide?
3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 320.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3R,4S)-1-[(E)-2-methylbut-2-enyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 72858248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).