N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide

C16H18N2O4 — CID 94032624

IUPACN-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1
InChIInChI=1S/C16H18N2O4/c1-11(17-16(20)13-6-7-22-10-13)15(19)18-14-5-3-4-12(8-14)9-21-2/h3-8,10-11H,9H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyXVIQTNPGZLCTFG-NSHDSACASA-N
MW302.33 g/mol
LogP2.18
Rot. Bonds6

About N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 94032624) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID94032624
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1
InChIInChI=1S/C16H18N2O4/c1-11(17-16(20)13-6-7-22-10-13)15(19)18-14-5-3-4-12(8-14)9-21-2/h3-8,10-11H,9H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyXVIQTNPGZLCTFG-NSHDSACASA-N
XLogP2.18
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538
N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide
CID 55859737
N-[1-[[3-(ethoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51089781
N-[1-oxo-1-[[3-(phenylcarbamoyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 47056942
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866
N-[(2R)-1-[4-(methanesulfonamido)-3-methoxyanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964466
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887339

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 94032624) is N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide is COCc1cccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1.
What is the InChIKey of N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is XVIQTNPGZLCTFG-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(17-16(20)13-6-7-22-10-13)15(19)18-14-5-3-4-12(8-14)9-21-2/h3-8,10-11H,9H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94032624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).