N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide

C23H29NO4 — CID 163550541

IUPACN-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
SMILESCCC(=O)c1cc(C(=O)NC2CCC(OC)CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C23H29NO4/c1-4-20(25)21-14-19(22(28-21)15(2)16-8-6-5-7-9-16)23(26)24-17-10-12-18(27-3)13-11-17/h5-9,14-15,17-18H,4,10-13H2,1-3H3,(H,24,26)/t15-,17?,18?/m0/s1
InChIKeyFIROAGVFVVFEJM-ZLPCBKJTSA-N
MW383.49 g/mol
LogP4.71
Rot. Bonds7

About N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide

N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide (PubChem CID 163550541) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
PubChem CID163550541
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
SMILESCCC(=O)c1cc(C(=O)NC2CCC(OC)CC2)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C23H29NO4/c1-4-20(25)21-14-19(22(28-21)15(2)16-8-6-5-7-9-16)23(26)24-17-10-12-18(27-3)13-11-17/h5-9,14-15,17-18H,4,10-13H2,1-3H3,(H,24,26)/t15-,17?,18?/m0/s1
InChIKeyFIROAGVFVVFEJM-ZLPCBKJTSA-N
XLogP4.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide (CID 163550541) is N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide is CCC(=O)c1cc(C(=O)NC2CCC(OC)CC2)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
The InChIKey is FIROAGVFVVFEJM-ZLPCBKJTSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-20(25)21-14-19(22(28-21)15(2)16-8-6-5-7-9-16)23(26)24-17-10-12-18(27-3)13-11-17/h5-9,14-15,17-18H,4,10-13H2,1-3H3,(H,24,26)/t15-,17?,18?/m0/s1.
What are the key properties of N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide?
N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide is sourced from PubChem (CID 163550541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).