N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide

C15H22N2O4 — CID 71661021

IUPACN'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
SMILESCOc1ccc(CNC(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C15H22N2O4/c1-21-13-9-7-12(8-10-13)11-16-14(18)5-3-2-4-6-15(19)17-20/h7-10,20H,2-6,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyQZWNQTBCMIXOPK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.77
Rot. Bonds9

About N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide

N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide (PubChem CID 71661021) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
PubChem CID71661021
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
SMILESCOc1ccc(CNC(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C15H22N2O4/c1-21-13-9-7-12(8-10-13)11-16-14(18)5-3-2-4-6-15(19)17-20/h7-10,20H,2-6,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyQZWNQTBCMIXOPK-UHFFFAOYSA-N
XLogP1.77
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305545
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide (CID 71661021) is N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide is COc1ccc(CNC(=O)CCCCCC(=O)NO)cc1.
What is the InChIKey of N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide?
The InChIKey is QZWNQTBCMIXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-13-9-7-12(8-10-13)11-16-14(18)5-3-2-4-6-15(19)17-20/h7-10,20H,2-6,11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide?
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide has a molecular weight of 294.35 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide is sourced from PubChem (CID 71661021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).