N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide

C19H24N2O2 — CID 135320602

IUPACN-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(CC(NO)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)12-19(22)20-17-10-8-15(9-11-17)13-18(21-23)16-6-4-3-5-7-16/h3-11,14,18,21,23H,12-13H2,1-2H3,(H,20,22)
InChIKeySJQOHKVLEHJTEW-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.93
Rot. Bonds7

About N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide

N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide (PubChem CID 135320602) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide
PubChem CID135320602
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(CC(NO)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)12-19(22)20-17-10-8-15(9-11-17)13-18(21-23)16-6-4-3-5-7-16/h3-11,14,18,21,23H,12-13H2,1-2H3,(H,20,22)
InChIKeySJQOHKVLEHJTEW-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
CID 5227742
2-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid
CID 115164929
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
N-[4-(2-bromopentyl)phenyl]-3-methylbutanamide
CID 82259405
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide (CID 135320602) is N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(CC(NO)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide?
The InChIKey is SJQOHKVLEHJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)12-19(22)20-17-10-8-15(9-11-17)13-18(21-23)16-6-4-3-5-7-16/h3-11,14,18,21,23H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide?
N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide has a molecular weight of 312.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-phenylethyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 135320602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).