N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C17H26N2O4 — CID 98724413

IUPACN-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NCCO[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C17H26N2O4/c1-12-5-3-4-6-15(12)23-10-8-18-16(20)13(2)19-17(21)14-7-9-22-11-14/h7,9,11-13,15H,3-6,8,10H2,1-2H3,(H,18,20)(H,19,21)/t12-,13-,15+/m0/s1
InChIKeyPVNGHKAAARFAAV-KCQAQPDRSA-N
MW322.40 g/mol
LogP2.11
Rot. Bonds7

About N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 98724413) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID98724413
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC NameN-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NCCO[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C17H26N2O4/c1-12-5-3-4-6-15(12)23-10-8-18-16(20)13(2)19-17(21)14-7-9-22-11-14/h7,9,11-13,15H,3-6,8,10H2,1-2H3,(H,18,20)(H,19,21)/t12-,13-,15+/m0/s1
InChIKeyPVNGHKAAARFAAV-KCQAQPDRSA-N
XLogP2.11
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 98724413) is N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)NCCO[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is PVNGHKAAARFAAV-KCQAQPDRSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12-5-3-4-6-15(12)23-10-8-18-16(20)13(2)19-17(21)14-7-9-22-11-14/h7,9,11-13,15H,3-6,8,10H2,1-2H3,(H,18,20)(H,19,21)/t12-,13-,15+/m0/s1.
What are the key properties of N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 98724413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).