N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

C19H24N3O4+ — CID 9149121

IUPACN-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c23-18(13-20-19(24)17-7-4-10-26-17)21-16(15-5-2-1-3-6-15)14-22-8-11-25-12-9-22/h1-7,10,16H,8-9,11-14H2,(H,20,24)(H,21,23)/p+1/t16-/m0/s1
InChIKeyXYTGHKUGISIOEO-INIZCTEOSA-O
MW358.42 g/mol
LogP-0.22
Rot. Bonds7

About N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9149121) has the molecular formula C19H24N3O4+ and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9149121
Molecular FormulaC19H24N3O4+
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c23-18(13-20-19(24)17-7-4-10-26-17)21-16(15-5-2-1-3-6-15)14-22-8-11-25-12-9-22/h1-7,10,16H,8-9,11-14H2,(H,20,24)(H,21,23)/p+1/t16-/m0/s1
InChIKeyXYTGHKUGISIOEO-INIZCTEOSA-O
XLogP-0.22
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9148319
N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide
CID 7720034
N-[2-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9144588
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]quinoline-2-carboxamide
CID 9148328
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149455
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 9149566
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150265
1-[(4-fluorophenyl)methyl]-3-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiourea
CID 8564139

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide (CID 9149121) is N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XYTGHKUGISIOEO-INIZCTEOSA-O. The full InChI is InChI=1S/C19H23N3O4/c23-18(13-20-19(24)17-7-4-10-26-17)21-16(15-5-2-1-3-6-15)14-22-8-11-25-12-9-22/h1-7,10,16H,8-9,11-14H2,(H,20,24)(H,21,23)/p+1/t16-/m0/s1.
What are the key properties of N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9149121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).