N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide

C15H21N3O4 — CID 143039987

IUPACN-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide
SMILESC=C(C)NC(=O)N(CCCO)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C15H21N3O4/c1-11(2)16-15(21)18(8-3-9-19)10-12-4-6-13(7-5-12)14(20)17-22/h4-7,19,22H,1,3,8-10H2,2H3,(H,16,21)(H,17,20)
InChIKeyQGVWXHQHCAULQD-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.23
Rot. Bonds7

About N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide

N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide (PubChem CID 143039987) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide
PubChem CID143039987
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide
SMILESC=C(C)NC(=O)N(CCCO)Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C15H21N3O4/c1-11(2)16-15(21)18(8-3-9-19)10-12-4-6-13(7-5-12)14(20)17-22/h4-7,19,22H,1,3,8-10H2,2H3,(H,16,21)(H,17,20)
InChIKeyQGVWXHQHCAULQD-UHFFFAOYSA-N
XLogP1.23
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
CID 169452194
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
1-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 126448790
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide
CID 123410947
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide
CID 143039971
N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-(3-phenylpropyl)carbamoyl]benzamide
CID 72980788
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
[4-(hydroxycarbamoyl)phenyl]methyl-(thiophen-3-ylmethyl)carbamic acid
CID 87545623
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
CID 87545769

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide (CID 143039987) is N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide is C=C(C)NC(=O)N(CCCO)Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide?
The InChIKey is QGVWXHQHCAULQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11(2)16-15(21)18(8-3-9-19)10-12-4-6-13(7-5-12)14(20)17-22/h4-7,19,22H,1,3,8-10H2,2H3,(H,16,21)(H,17,20).
What are the key properties of N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide?
N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 1.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide is sourced from PubChem (CID 143039987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).