N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide

C20H23NO3 — CID 163737616

IUPACN-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
SMILESCCC(=O)c1cc(C(=O)NCC2CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C20H23NO3/c1-3-17(22)18-11-16(20(23)21-12-14-9-10-14)19(24-18)13(2)15-7-5-4-6-8-15/h4-8,11,13-14H,3,9-10,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyLEZCGAYXEUVEEE-ZDUSSCGKSA-N
MW325.41 g/mol
LogP4.16
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide

N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide (PubChem CID 163737616) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
PubChem CID163737616
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
SMILESCCC(=O)c1cc(C(=O)NCC2CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C20H23NO3/c1-3-17(22)18-11-16(20(23)21-12-14-9-10-14)19(24-18)13(2)15-7-5-4-6-8-15/h4-8,11,13-14H,3,9-10,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyLEZCGAYXEUVEEE-ZDUSSCGKSA-N
XLogP4.16
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f]benzofuran-4,9-quinone
CID 1382506
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
N-Benzyl-3-(5-methyl-furan-2-yl)-propionamide
CID 827173
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
2,5-dimethyl-N-[1-(4-methylphenyl)ethyl]furan-3-carboxamide
CID 2932803
2-methyl-N-(4-phenylbutan-2-yl)furan-3-carboxamide
CID 2933467
N-(tert-butyl)(2-methyl-4,9-dioxonaphtho[2,3-b]furan-3-yl)carboxamide
CID 701359
N-isopentyl-2-methyl-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide
CID 701360
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-butylcarbamate
CID 46916518
2-methyl-4,9-dioxo-N-(3-pyrrolidin-1-ylpropyl)benzo[f][1]benzofuran-3-carboxamide
CID 145362855
4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide
CID 146434133
4-N-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434135

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide (CID 163737616) is N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide is CCC(=O)c1cc(C(=O)NCC2CC2)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
The InChIKey is LEZCGAYXEUVEEE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-17(22)18-11-16(20(23)21-12-14-9-10-14)19(24-18)13(2)15-7-5-4-6-8-15/h4-8,11,13-14H,3,9-10,12H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide is sourced from PubChem (CID 163737616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).