1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate

C19H25N3O6 — CID 88849206

IUPAC1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)Oc1cc2ccccc2o1
InChIInChI=1S/C19H25N3O6/c1-2-3-4-8-15(11-22(26)13-23)18(24)20-12-21-19(25)28-17-10-14-7-5-6-9-16(14)27-17/h5-7,9-10,13,15,26H,2-4,8,11-12H2,1H3,(H,20,24)(H,21,25)/t15-/m1/s1
InChIKeyVOXXGNIEPUFGME-OAHLLOKOSA-N
MW391.42 g/mol
LogP2.64
Rot. Bonds11

About 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate

1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate (PubChem CID 88849206) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate.

Molecular Properties

Compound Name1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate
PubChem CID88849206
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)Oc1cc2ccccc2o1
InChIInChI=1S/C19H25N3O6/c1-2-3-4-8-15(11-22(26)13-23)18(24)20-12-21-19(25)28-17-10-14-7-5-6-9-16(14)27-17/h5-7,9-10,13,15,26H,2-4,8,11-12H2,1H3,(H,20,24)(H,21,25)/t15-/m1/s1
InChIKeyVOXXGNIEPUFGME-OAHLLOKOSA-N
XLogP2.64
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-ethylphenyl)-N-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methyl]furan-2-carboxamide
CID 144883941
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-propan-2-yloxyphenyl)furan-2-carboxamide
CID 118226212
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(6-methoxy-2-pyridinyl)furan-2-carboxamide
CID 118225857
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-[3-(phosphorosooxymethyl)phenyl]furan-2-carboxamide
CID 122699015
5-[5-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]-2-methoxybenzoic acid
CID 118226239
2-[3-[5-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methylcarbamoyl]furan-2-yl]phenyl]propanoic acid
CID 118225719
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(1-methylindazol-6-yl)furan-2-carboxamide
CID 118225800
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(4-methylpyrazol-1-yl)benzamide
CID 145227824
2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide
CID 154505330
3-(3,6-dimethoxypyridazin-4-yl)-N-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methyl]benzamide
CID 145227804
5-[3-(4-aminobutanoyl)-5-ethoxyphenyl]-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]furan-2-carboxamide
CID 159180945
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate?
The IUPAC name of 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate (CID 88849206) is 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate.
What is the SMILES notation for 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate?
The canonical SMILES for 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate is CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)Oc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate?
The InChIKey is VOXXGNIEPUFGME-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-2-3-4-8-15(11-22(26)13-23)18(24)20-12-21-19(25)28-17-10-14-7-5-6-9-16(14)27-17/h5-7,9-10,13,15,26H,2-4,8,11-12H2,1H3,(H,20,24)(H,21,25)/t15-/m1/s1.
What are the key properties of 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate?
1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate has a molecular weight of 391.42 g/mol, XLogP of 2.64, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]carbamate is sourced from PubChem (CID 88849206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).