N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide

C20H31N3O5 — CID 90694364

IUPACN-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCCC(CN(O)C=O)C(=O)C(NC(=O)Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C20H31N3O5/c1-5-6-8-15(12-23(27)13-24)19(25)18(14(2)3)22-20(26)21-16-9-7-10-17(11-16)28-4/h7,9-11,13-15,18,27H,5-6,8,12H2,1-4H3,(H2,21,22,26)
InChIKeyUIFPILVWYXVVOQ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.06
Rot. Bonds12

About N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide

N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (PubChem CID 90694364) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
PubChem CID90694364
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC NameN-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide
SMILESCCCCC(CN(O)C=O)C(=O)C(NC(=O)Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C20H31N3O5/c1-5-6-8-15(12-23(27)13-24)19(25)18(14(2)3)22-20(26)21-16-9-7-10-17(11-16)28-4/h7,9-11,13-15,18,27H,5-6,8,12H2,1-4H3,(H2,21,22,26)
InChIKeyUIFPILVWYXVVOQ-UHFFFAOYSA-N
XLogP3.06
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[(3S,5R)-5-[[formyl(hydroxy)amino]methyl]-2-methyl-4-oxononan-3-yl]pyridine-4-carboxamide
CID 24760777
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
1-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(3-methoxyphenyl)urea
CID 77038240
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556
2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
CID 61191979
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
2-fluoro-N-[[[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]amino]methyl]-3-(3-methoxyphenyl)benzamide
CID 154505330
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031

Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The IUPAC name of N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide (CID 90694364) is N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is CCCCC(CN(O)C=O)C(=O)C(NC(=O)Nc1cccc(OC)c1)C(C)C.
What is the InChIKey of N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
The InChIKey is UIFPILVWYXVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-5-6-8-15(12-23(27)13-24)19(25)18(14(2)3)22-20(26)21-16-9-7-10-17(11-16)28-4/h7,9-11,13-15,18,27H,5-6,8,12H2,1-4H3,(H2,21,22,26).
What are the key properties of N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide?
N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide has a molecular weight of 393.48 g/mol, XLogP of 3.06, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-4-[(3-methoxyphenyl)carbamoylamino]-5-methyl-3-oxohexyl]-N-hydroxyformamide is sourced from PubChem (CID 90694364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).