N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide

C17H20N2O5 — CID 110348293

IUPACN-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H20N2O5/c1-11(16(20)18-10-13-5-4-6-24-13)19-17(21)12-7-14(22-2)9-15(8-12)23-3/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyJRVBPQVGWLZBJO-NSHDSACASA-N
MW332.36 g/mol
LogP1.73
Rot. Bonds7

About N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide

N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 110348293) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
PubChem CID110348293
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H20N2O5/c1-11(16(20)18-10-13-5-4-6-24-13)19-17(21)12-7-14(22-2)9-15(8-12)23-3/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyJRVBPQVGWLZBJO-NSHDSACASA-N
XLogP1.73
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
CID 56548373
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
3-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60597223
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
CID 94814781
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6379341

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide (CID 110348293) is N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c1.
What is the InChIKey of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is JRVBPQVGWLZBJO-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2O5/c1-11(16(20)18-10-13-5-4-6-24-13)19-17(21)12-7-14(22-2)9-15(8-12)23-3/h4-9,11H,10H2,1-3H3,(H,18,20)(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide?
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 332.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110348293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).