N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

C19H23N3O4 — CID 125172950

IUPACN-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-20-19(24)17(14-5-3-2-4-6-14)21-18(23)15-11-16(26-13-15)12-22-7-9-25-10-8-22/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyZWEDVSMYOUCOCT-KRWDZBQOSA-N
MW357.41 g/mol
LogP1.33
Rot. Bonds6

About N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 125172950) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID125172950
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-20-19(24)17(14-5-3-2-4-6-14)21-18(23)15-11-16(26-13-15)12-22-7-9-25-10-8-22/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyZWEDVSMYOUCOCT-KRWDZBQOSA-N
XLogP1.33
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]furan-3-carboxamide
CID 97189860
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 118788788
5-(morpholin-4-ylmethyl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
CID 97188780
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479
N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 157012475
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74237393
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
N-(1-benzyl-5-oxopyrrolidin-3-yl)-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72905508
N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
5-(morpholin-4-ylmethyl)-N-[(1R)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 92725034

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 125172950) is N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is CNC(=O)[C@@H](NC(=O)c1coc(CN2CCOCC2)c1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is ZWEDVSMYOUCOCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-20-19(24)17(14-5-3-2-4-6-14)21-18(23)15-11-16(26-13-15)12-22-7-9-25-10-8-22/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,24)(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 125172950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).