4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide

C19H20N2O3 — CID 177250979

IUPAC4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(CC2CC2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c22-18(20-24)16-10-8-15(9-11-16)13-21(12-14-6-7-14)19(23)17-4-2-1-3-5-17/h1-5,8-11,14,24H,6-7,12-13H2,(H,20,22)
InChIKeyLBOPOZPKHGNFIG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.86
Rot. Bonds6

About 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide

4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide (PubChem CID 177250979) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
PubChem CID177250979
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(CC2CC2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c22-18(20-24)16-10-8-15(9-11-16)13-21(12-14-6-7-14)19(23)17-4-2-1-3-5-17/h1-5,8-11,14,24H,6-7,12-13H2,(H,20,22)
InChIKeyLBOPOZPKHGNFIG-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.86
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

benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N,N-dibenzyl-4-[2-(hydroxyamino)-2-oxoethyl]benzamide
CID 71519573
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide
CID 164613299
4-[[[2-(benzylamino)-2-oxoethyl]-[4-(dimethylamino)benzoyl]amino]methyl]-N-hydroxybenzamide
CID 134812689
N-hydroxybenzamide;nickel
CID 88846751
N-benzyl-4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 102566153
N-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-2-oxoethyl]benzamide
CID 115549862
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide
CID 177380043

Frequently Asked Questions

What is the IUPAC name of 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide (CID 177250979) is 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN(CC2CC2)C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is LBOPOZPKHGNFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(20-24)16-10-8-15(9-11-16)13-21(12-14-6-7-14)19(23)17-4-2-1-3-5-17/h1-5,8-11,14,24H,6-7,12-13H2,(H,20,22).
What are the key properties of 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide?
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 177250979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).