N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide

C26H31N5O10 — CID 44542889

IUPACN-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide
SMILESO=C(CNC(=O)C(CCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)NC1CCCN(O)C1=O
InChIInChI=1S/C26H31N5O10/c32-18-9-1-5-14(21(18)35)23(37)27-11-3-7-16(30-24(38)15-6-2-10-19(33)22(15)36)25(39)28-13-20(34)29-17-8-4-12-31(41)26(17)40/h1-2,5-6,9-10,16-17,32-33,35-36,41H,3-4,7-8,11-13H2,(H,27,37)(H,28,39)(H,29,34)(H,30,38)
InChIKeyILQHJVIKARFYJO-UHFFFAOYSA-N
MW573.56 g/mol
LogP-0.57
Rot. Bonds11

About N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide

N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide (PubChem CID 44542889) has the molecular formula C26H31N5O10 and a molecular weight of 573.56 g/mol. Its IUPAC name is N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide
PubChem CID44542889
Molecular FormulaC26H31N5O10
Molecular Weight573.56 g/mol
Exact Mass573.21
IUPAC NameN-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide
SMILESO=C(CNC(=O)C(CCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)NC1CCCN(O)C1=O
InChIInChI=1S/C26H31N5O10/c32-18-9-1-5-14(21(18)35)23(37)27-11-3-7-16(30-24(38)15-6-2-10-19(33)22(15)36)25(39)28-13-20(34)29-17-8-4-12-31(41)26(17)40/h1-2,5-6,9-10,16-17,32-33,35-36,41H,3-4,7-8,11-13H2,(H,27,37)(H,28,39)(H,29,34)(H,30,38)
InChIKeyILQHJVIKARFYJO-UHFFFAOYSA-N
XLogP-0.57
TPSA237.86 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.56
LogP ≤ 5-0.57
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[1-[[5-[formyl(hydroxy)amino]-1-[[3-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-3-oxopropyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-hydroxybenzamide
CID 162857023
benzyl N-[(4S)-5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]carbamate
CID 11113569
2,3-dihydroxy-N-[3-(propan-2-ylamino)propyl]benzamide
CID 90364861
N-[1-[[5-[formyl(hydroxy)amino]-1-[[3-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-3-oxopropyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 135502566
N-(3-acetamidopropyl)-2,3-dihydroxybenzamide
CID 144546819
N-[(5R)-6-amino-5-[(2,3-dihydroxybenzoyl)amino]hexyl]-2,3-dihydroxybenzamide
CID 10597288
(2S)-2-[[(2S)-2-[[(2R)-2-amino-6-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-phenylpropanoic acid
CID 163041621
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
2,3-dihydroxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 114344654
2,3-dihydroxy-N-[1-hydroxy-6-[(2-hydroxybenzoyl)amino]hexan-2-yl]benzamide
CID 163133324
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide (CID 44542889) is N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide is O=C(CNC(=O)C(CCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)NC1CCCN(O)C1=O.
What is the InChIKey of N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide?
The InChIKey is ILQHJVIKARFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O10/c32-18-9-1-5-14(21(18)35)23(37)27-11-3-7-16(30-24(38)15-6-2-10-19(33)22(15)36)25(39)28-13-20(34)29-17-8-4-12-31(41)26(17)40/h1-2,5-6,9-10,16-17,32-33,35-36,41H,3-4,7-8,11-13H2,(H,27,37)(H,28,39)(H,29,34)(H,30,38).
What are the key properties of N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide?
N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide has a molecular weight of 573.56 g/mol, XLogP of -0.57, 11 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dihydroxybenzoyl)amino]-5-[[2-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 44542889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).