N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

C18H22N2O5 — CID 6722844

IUPACN-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H](CO)C(=O)NC3CCCC3)oc12
InChIInChI=1S/C18H22N2O5/c1-24-14-8-4-5-11-9-15(25-16(11)14)18(23)20-13(10-21)17(22)19-12-6-2-3-7-12/h4-5,8-9,12-13,21H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyRQNXLQTWQOXWJR-ZDUSSCGKSA-N
MW346.38 g/mol
LogP1.59
Rot. Bonds6

About N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 6722844) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID6722844
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H](CO)C(=O)NC3CCCC3)oc12
InChIInChI=1S/C18H22N2O5/c1-24-14-8-4-5-11-9-15(25-16(11)14)18(23)20-13(10-21)17(22)19-12-6-2-3-7-12/h4-5,8-9,12-13,21H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyRQNXLQTWQOXWJR-ZDUSSCGKSA-N
XLogP1.59
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-hydroxy-1-(4-methoxyanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722862
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722834
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722835
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722855
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723761
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 98783372
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71785684
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1-benzofuran-2-carboxamide
CID 99987504
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 38016871

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 6722844) is N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N[C@@H](CO)C(=O)NC3CCCC3)oc12.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is RQNXLQTWQOXWJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-24-14-8-4-5-11-9-15(25-16(11)14)18(23)20-13(10-21)17(22)19-12-6-2-3-7-12/h4-5,8-9,12-13,21H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6722844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).