N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide

C22H29N3O6 — CID 118225947

IUPACN-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCCCCCC(CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OC)c2)o1
InChIInChI=1S/C22H29N3O6/c1-3-4-5-7-17(13-25(29)15-26)21(27)23-14-24-22(28)20-11-10-19(31-20)16-8-6-9-18(12-16)30-2/h6,8-12,15,17,29H,3-5,7,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyUXVMHWJFIGWLII-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.80
Rot. Bonds13

About N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide

N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 118225947) has the molecular formula C22H29N3O6 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID118225947
Molecular FormulaC22H29N3O6
Molecular Weight431.49 g/mol
Exact Mass431.21
IUPAC NameN-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCCCCCC(CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OC)c2)o1
InChIInChI=1S/C22H29N3O6/c1-3-4-5-7-17(13-25(29)15-26)21(27)23-14-24-22(28)20-11-10-19(31-20)16-8-6-9-18(12-16)30-2/h6,8-12,15,17,29H,3-5,7,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyUXVMHWJFIGWLII-UHFFFAOYSA-N
XLogP2.80
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.80
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

(2S)-2-[[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]butanedioic acid
CID 118225803
2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoic acid
CID 91824149
[3-ethoxy-5-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]phenyl]phosphonic acid
CID 118225750
[2-ethoxy-4-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]phenyl]phosphonic acid
CID 118225779
3-ethoxy-5-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoic acid
CID 118225829
5-(3-ethoxyphenyl)-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]furan-2-carboxamide
CID 118225927
(2S)-2-[[3-ethoxy-5-[5-[[[(2R)-2-[(1R)-1-[formyl(hydroxy)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoyl]amino]butanedioic acid
CID 118225935
4-[5-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]benzoic acid
CID 118225963
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
N-(3-{[(3-methoxyphenyl)carbonyl]amino}propyl)furan-2-carboxamide
CID 6490904
Furan-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6490912
5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 18160218

Frequently Asked Questions

What is the IUPAC name of N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide (CID 118225947) is N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide is CCCCCC(CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OC)c2)o1.
What is the InChIKey of N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is UXVMHWJFIGWLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6/c1-3-4-5-7-17(13-25(29)15-26)21(27)23-14-24-22(28)20-11-10-19(31-20)16-8-6-9-18(12-16)30-2/h6,8-12,15,17,29H,3-5,7,13-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 2.80, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-5-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 118225947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).