N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide

C23H31N3O5 — CID 118225789

IUPACN-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide
SMILESCCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccccc2)o1)[C@@H](CC)N(O)C=O
InChIInChI=1S/C23H31N3O5/c1-3-5-7-12-18(19(4-2)26(30)16-27)22(28)24-15-25-23(29)21-14-13-20(31-21)17-10-8-6-9-11-17/h6,8-11,13-14,16,18-19,30H,3-5,7,12,15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m1/s1
InChIKeyPEIHYHWPPPLALT-RTBURBONSA-N
MW429.52 g/mol
LogP3.57
Rot. Bonds13

About N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide

N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide (PubChem CID 118225789) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide
PubChem CID118225789
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC NameN-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide
SMILESCCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccccc2)o1)[C@@H](CC)N(O)C=O
InChIInChI=1S/C23H31N3O5/c1-3-5-7-12-18(19(4-2)26(30)16-27)22(28)24-15-25-23(29)21-14-13-20(31-21)17-10-8-6-9-11-17/h6,8-11,13-14,16,18-19,30H,3-5,7,12,15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m1/s1
InChIKeyPEIHYHWPPPLALT-RTBURBONSA-N
XLogP3.57
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide?
The IUPAC name of N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide (CID 118225789) is N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide is CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccccc2)o1)[C@@H](CC)N(O)C=O.
What is the InChIKey of N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide?
The InChIKey is PEIHYHWPPPLALT-RTBURBONSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-3-5-7-12-18(19(4-2)26(30)16-27)22(28)24-15-25-23(29)21-14-13-20(31-21)17-10-8-6-9-11-17/h6,8-11,13-14,16,18-19,30H,3-5,7,12,15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m1/s1.
What are the key properties of N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide?
N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.57, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methyl]-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 118225789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).