N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide

C21H26N4O4 — CID 11555315

IUPACN-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide
SMILESCC(C)C(C(=O)NO)N1CCN(Cc2ccc(OCc3cccnc3)cc2)C1=O
InChIInChI=1S/C21H26N4O4/c1-15(2)19(20(26)23-28)25-11-10-24(21(25)27)13-16-5-7-18(8-6-16)29-14-17-4-3-9-22-12-17/h3-9,12,15,19,28H,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyUBHBRVJPAYFLQA-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.43
Rot. Bonds8

About N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide

N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide (PubChem CID 11555315) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide
PubChem CID11555315
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide
SMILESCC(C)C(C(=O)NO)N1CCN(Cc2ccc(OCc3cccnc3)cc2)C1=O
InChIInChI=1S/C21H26N4O4/c1-15(2)19(20(26)23-28)25-11-10-24(21(25)27)13-16-5-7-18(8-6-16)29-14-17-4-3-9-22-12-17/h3-9,12,15,19,28H,10-11,13-14H2,1-2H3,(H,23,26)
InChIKeyUBHBRVJPAYFLQA-UHFFFAOYSA-N
XLogP2.43
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide;2,2,2-trifluoroacetic acid
CID 11706196
(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
CID 94538513
2-[[4-hydroxy-6-oxo-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177100
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
(2S,3S)-N-[(2S,3S)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-3-methyl-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pentanamide
CID 66891642
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
2-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-2-oxo-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]pyrrolidin-1-yl]-N-hydroxypropanamide
CID 22456049
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
2-[methyl-[(2R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-2-yl]amino]acetic acid
CID 122415289

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide?
The IUPAC name of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide (CID 11555315) is N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide is CC(C)C(C(=O)NO)N1CCN(Cc2ccc(OCc3cccnc3)cc2)C1=O.
What is the InChIKey of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide?
The InChIKey is UBHBRVJPAYFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15(2)19(20(26)23-28)25-11-10-24(21(25)27)13-16-5-7-18(8-6-16)29-14-17-4-3-9-22-12-17/h3-9,12,15,19,28H,10-11,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide?
N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide has a molecular weight of 398.46 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[2-oxo-3-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]imidazolidin-1-yl]butanamide is sourced from PubChem (CID 11555315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).