N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide

C24H27N3O3 — CID 175296138

IUPACN-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCCC(=O)NO
InChIInChI=1S/C24H27N3O3/c1-17-20(18-8-4-3-5-9-18)10-6-11-21(17)22-14-13-19(24(26-22)30-2)16-25-15-7-12-23(28)27-29/h3-6,8-11,13-14,25,29H,7,12,15-16H2,1-2H3,(H,27,28)
InChIKeyVVQUZSHZGZOQRU-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.11
Rot. Bonds9

About N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide

N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide (PubChem CID 175296138) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide
PubChem CID175296138
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCCC(=O)NO
InChIInChI=1S/C24H27N3O3/c1-17-20(18-8-4-3-5-9-18)10-6-11-21(17)22-14-13-19(24(26-22)30-2)16-25-15-7-12-23(28)27-29/h3-6,8-11,13-14,25,29H,7,12,15-16H2,1-2H3,(H,27,28)
InChIKeyVVQUZSHZGZOQRU-UHFFFAOYSA-N
XLogP4.11
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide?
The IUPAC name of N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide (CID 175296138) is N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide.
What is the SMILES notation for N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide?
The canonical SMILES for N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNCCCC(=O)NO.
What is the InChIKey of N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide?
The InChIKey is VVQUZSHZGZOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-20(18-8-4-3-5-9-18)10-6-11-21(17)22-14-13-19(24(26-22)30-2)16-25-15-7-12-23(28)27-29/h3-6,8-11,13-14,25,29H,7,12,15-16H2,1-2H3,(H,27,28).
What are the key properties of N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide?
N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide has a molecular weight of 405.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]butanamide is sourced from PubChem (CID 175296138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).