3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C16H19N3O4 — CID 167751843

IUPAC3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESN[C@H](CO)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19N3O4/c17-14(10-20)16(22)18-8-11-3-1-4-12(7-11)15(21)19-9-13-5-2-6-23-13/h1-7,14,20H,8-10,17H2,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyNCKHQQYCGUZHGJ-CQSZACIVSA-N
MW317.35 g/mol
LogP0.15
Rot. Bonds7

About 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 167751843) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID167751843
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESN[C@H](CO)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H19N3O4/c17-14(10-20)16(22)18-8-11-3-1-4-12(7-11)15(21)19-9-13-5-2-6-23-13/h1-7,14,20H,8-10,17H2,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyNCKHQQYCGUZHGJ-CQSZACIVSA-N
XLogP0.15
TPSA117.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]benzamide
CID 111463790
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 56561104
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 60547044
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 167751843) is 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is N[C@H](CO)C(=O)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is NCKHQQYCGUZHGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O4/c17-14(10-20)16(22)18-8-11-3-1-4-12(7-11)15(21)19-9-13-5-2-6-23-13/h1-7,14,20H,8-10,17H2,(H,18,22)(H,19,21)/t14-/m1/s1.
What are the key properties of 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 317.35 g/mol, XLogP of 0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 167751843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).