3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide

C20H27N3O3 — CID 51933116

IUPAC3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)CCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H27N3O3/c1-14(18-13-15-7-3-6-10-17(15)26-18)23(2)12-11-19(24)22-20(25)21-16-8-4-5-9-16/h3,6-7,10,13-14,16H,4-5,8-9,11-12H2,1-2H3,(H2,21,22,24,25)/t14-/m1/s1
InChIKeyHLPLLRMPRMJTSC-CQSZACIVSA-N
MW357.45 g/mol
LogP3.58
Rot. Bonds6

About 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide

3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide (PubChem CID 51933116) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide
PubChem CID51933116
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide
SMILESC[C@H](c1cc2ccccc2o1)N(C)CCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H27N3O3/c1-14(18-13-15-7-3-6-10-17(15)26-18)23(2)12-11-19(24)22-20(25)21-16-8-4-5-9-16/h3,6-7,10,13-14,16H,4-5,8-9,11-12H2,1-2H3,(H2,21,22,24,25)/t14-/m1/s1
InChIKeyHLPLLRMPRMJTSC-CQSZACIVSA-N
XLogP3.58
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124733045
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193776
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3903369
1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
CID 126786259
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 43052670
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122011260
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9048067
N-(cyclohexylcarbamoyl)-2-naphthalen-2-ylsulfanylacetamide
CID 17431041
N-(cyclopentylcarbamoyl)-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78818923

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
The IUPAC name of 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide (CID 51933116) is 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide.
What is the SMILES notation for 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
The canonical SMILES for 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide is C[C@H](c1cc2ccccc2o1)N(C)CCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
The InChIKey is HLPLLRMPRMJTSC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(18-13-15-7-3-6-10-17(15)26-18)23(2)12-11-19(24)22-20(25)21-16-8-4-5-9-16/h3,6-7,10,13-14,16H,4-5,8-9,11-12H2,1-2H3,(H2,21,22,24,25)/t14-/m1/s1.
What are the key properties of 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide?
3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]-N-(cyclopentylcarbamoyl)propanamide is sourced from PubChem (CID 51933116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).