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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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).