2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C24H31N3O3 — CID 55828900

IUPAC2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O3/c28-23(18-27(21-6-1-2-7-21)17-22-8-5-15-30-22)25-16-19-9-11-20(12-10-19)24(29)26-13-3-4-14-26/h5,8-12,15,21H,1-4,6-7,13-14,16-18H2,(H,25,28)
InChIKeyJGUVJARQQDCRRV-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.58
Rot. Bonds8

About 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 55828900) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID55828900
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESO=C(CN(Cc1ccco1)C1CCCC1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O3/c28-23(18-27(21-6-1-2-7-21)17-22-8-5-15-30-22)25-16-19-9-11-20(12-10-19)24(29)26-13-3-4-14-26/h5,8-12,15,21H,1-4,6-7,13-14,16-18H2,(H,25,28)
InChIKeyJGUVJARQQDCRRV-UHFFFAOYSA-N
XLogP3.58
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 34218990
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
3-[cyclopentyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]propanoic acid
CID 82326863
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 87017996
2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 56574767
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
1-(furan-2-ylmethyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 2954454
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 38180894
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 55837830

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 55828900) is 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is O=C(CN(Cc1ccco1)C1CCCC1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is JGUVJARQQDCRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-23(18-27(21-6-1-2-7-21)17-22-8-5-15-30-22)25-16-19-9-11-20(12-10-19)24(29)26-13-3-4-14-26/h5,8-12,15,21H,1-4,6-7,13-14,16-18H2,(H,25,28).
What are the key properties of 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(furan-2-ylmethyl)amino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55828900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).