N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide

C20H25N3O3 — CID 76779917

IUPACN-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
SMILESCC(NC(=O)NC(c1ccc(C(=O)NO)cc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-13(2)18(16-9-11-17(12-10-16)19(24)23-26)22-20(25)21-14(3)15-7-5-4-6-8-15/h4-14,18,26H,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyWOTJKJBWINCKPU-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.56
Rot. Bonds6

About N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide

N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide (PubChem CID 76779917) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
PubChem CID76779917
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide
SMILESCC(NC(=O)NC(c1ccc(C(=O)NO)cc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-13(2)18(16-9-11-17(12-10-16)19(24)23-26)22-20(25)21-14(3)15-7-5-4-6-8-15/h4-14,18,26H,1-3H3,(H,23,24)(H2,21,22,25)
InChIKeyWOTJKJBWINCKPU-UHFFFAOYSA-N
XLogP3.56
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.56
H-Bond Donors ≤ 54
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

1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
4-[1-[(2-fluorophenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
CID 58417486
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 41439579
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 30302598
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 30302600
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide (CID 76779917) is N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide is CC(NC(=O)NC(c1ccc(C(=O)NO)cc1)C(C)C)c1ccccc1.
What is the InChIKey of N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide?
The InChIKey is WOTJKJBWINCKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)18(16-9-11-17(12-10-16)19(24)23-26)22-20(25)21-14(3)15-7-5-4-6-8-15/h4-14,18,26H,1-3H3,(H,23,24)(H2,21,22,25).
What are the key properties of N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide?
N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-methyl-1-(1-phenylethylcarbamoylamino)propyl]benzamide is sourced from PubChem (CID 76779917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).