7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide

C18H31N3O2 — CID 119873705

IUPAC7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide
SMILESCc1ccc(C(CNC(=O)CCCCCCN)N2CCCC2)o1
InChIInChI=1S/C18H31N3O2/c1-15-9-10-17(23-15)16(21-12-6-7-13-21)14-20-18(22)8-4-2-3-5-11-19/h9-10,16H,2-8,11-14,19H2,1H3,(H,20,22)
InChIKeyLQTIROPEPWHSLN-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.75
Rot. Bonds10

About 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide

7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide (PubChem CID 119873705) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide
PubChem CID119873705
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide
SMILESCc1ccc(C(CNC(=O)CCCCCCN)N2CCCC2)o1
InChIInChI=1S/C18H31N3O2/c1-15-9-10-17(23-15)16(21-12-6-7-13-21)14-20-18(22)8-4-2-3-5-11-19/h9-10,16H,2-8,11-14,19H2,1H3,(H,20,22)
InChIKeyLQTIROPEPWHSLN-UHFFFAOYSA-N
XLogP2.75
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 75419402
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119873717
2-(4-aminophenyl)-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119873716
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate
CID 95289325
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
2-(4-bromophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 26834661
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 26834553
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide (CID 119873705) is 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide is Cc1ccc(C(CNC(=O)CCCCCCN)N2CCCC2)o1.
What is the InChIKey of 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide?
The InChIKey is LQTIROPEPWHSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15-9-10-17(23-15)16(21-12-6-7-13-21)14-20-18(22)8-4-2-3-5-11-19/h9-10,16H,2-8,11-14,19H2,1H3,(H,20,22).
What are the key properties of 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide?
7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide has a molecular weight of 321.47 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]heptanamide is sourced from PubChem (CID 119873705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).