N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide

C17H26N2O3 — CID 18729401

IUPACN-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCC(C)(C)C(=O)N(C)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H26N2O3/c1-12-6-8-14(9-7-12)10-11-17(3,4)16(21)19(5)13(2)15(20)18-22/h6-9,13,22H,10-11H2,1-5H3,(H,18,20)
InChIKeyDDBIPEAAHRLZLM-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.31
Rot. Bonds6

About N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide

N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide (PubChem CID 18729401) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide
PubChem CID18729401
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide
SMILESCc1ccc(CCC(C)(C)C(=O)N(C)C(C)C(=O)NO)cc1
InChIInChI=1S/C17H26N2O3/c1-12-6-8-14(9-7-12)10-11-17(3,4)16(21)19(5)13(2)15(20)18-22/h6-9,13,22H,10-11H2,1-5H3,(H,18,20)
InChIKeyDDBIPEAAHRLZLM-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R)-6-(carbamoylamino)-2-[[2,2-dimethyl-4-(4-methylphenyl)butanoyl]-methylamino]-N-hydroxyhexanamide
CID 59885903
4,4-dimethyl-6-(4-methylphenyl)hexan-3-one
CID 159889737
2-methyl-2-[2-(4-methylphenyl)ethyl]propanedioic acid
CID 71765934
3-chloro-N,2,2-trimethyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 63681333
N-[(3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide
CID 59417442
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
CID 56920541
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
(3S)-4-methyl-3-[methyl-[2-(4-methylphenyl)ethyl]amino]pentan-2-one
CID 129091921
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide (CID 18729401) is N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide is Cc1ccc(CCC(C)(C)C(=O)N(C)C(C)C(=O)NO)cc1.
What is the InChIKey of N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide?
The InChIKey is DDBIPEAAHRLZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-6-8-14(9-7-12)10-11-17(3,4)16(21)19(5)13(2)15(20)18-22/h6-9,13,22H,10-11H2,1-5H3,(H,18,20).
What are the key properties of N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide?
N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide has a molecular weight of 306.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2,2-trimethyl-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 18729401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).