methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate

C20H24N2O4 — CID 73426367

IUPACmethyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-26-20(24)21-18-12-10-16(11-13-18)5-3-2-4-15-6-8-17(9-7-15)14-19(23)22-25/h6-13,25H,2-5,14H2,1H3,(H,21,24)(H,22,23)
InChIKeyNBDWFZJUHHHLLO-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.48
Rot. Bonds8

About methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate

methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate (PubChem CID 73426367) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate
PubChem CID73426367
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namemethyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-26-20(24)21-18-12-10-16(11-13-18)5-3-2-4-15-6-8-17(9-7-15)14-19(23)22-25/h6-13,25H,2-5,14H2,1H3,(H,21,24)(H,22,23)
InChIKeyNBDWFZJUHHHLLO-UHFFFAOYSA-N
XLogP3.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.48
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

methyl N-[4-[4-[4-(3-hydroxy-2-oxopropyl)phenyl]butyl]phenyl]carbamate
CID 159104489
N-hydroxy-2-[4-[4-[4-[(2-hydroxyacetyl)amino]phenyl]butyl]phenyl]acetamide
CID 73425834
methyl N-[4-(4-aminobutyl)phenyl]carbamate
CID 117318517
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
2-[4-[4-(3,4-dimethylphenyl)butyl]phenyl]-N-hydroxyacetamide
CID 90049516
methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
CID 144683165
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
tert-butyl N-[4-(7-methyloctyl)phenyl]carbamate
CID 66988932
N-hydroxy-2-[4-[4-(2,4,5-trifluorophenyl)butyl]phenyl]acetamide
CID 24757338
N'-hydroxy-N-[4-[4-(methylamino)-4-oxobutyl]phenyl]octanediamide
CID 126539842
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate (CID 73426367) is methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate is COC(=O)Nc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1.
What is the InChIKey of methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate?
The InChIKey is NBDWFZJUHHHLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-26-20(24)21-18-12-10-16(11-13-18)5-3-2-4-15-6-8-17(9-7-15)14-19(23)22-25/h6-13,25H,2-5,14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate?
methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate is sourced from PubChem (CID 73426367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).