N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide

C19H28N2O4 — CID 87563452

IUPACN-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCCC(=O)c1ccc(OCCC(=O)N(O)C(C)CN2CCCC2)cc1
InChIInChI=1S/C19H28N2O4/c1-3-18(22)16-6-8-17(9-7-16)25-13-10-19(23)21(24)15(2)14-20-11-4-5-12-20/h6-9,15,24H,3-5,10-14H2,1-2H3
InChIKeyYYMSHXVIMICPCI-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.75
Rot. Bonds9

About N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide

N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide (PubChem CID 87563452) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
PubChem CID87563452
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCCC(=O)c1ccc(OCCC(=O)N(O)C(C)CN2CCCC2)cc1
InChIInChI=1S/C19H28N2O4/c1-3-18(22)16-6-8-17(9-7-16)25-13-10-19(23)21(24)15(2)14-20-11-4-5-12-20/h6-9,15,24H,3-5,10-14H2,1-2H3
InChIKeyYYMSHXVIMICPCI-UHFFFAOYSA-N
XLogP2.75
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(4-propanoylphenoxy)propanoic acid
CID 3050237
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
(2S,4S)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione
CID 97292404
(2R,4R)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
CID 97292408
1-[4-[3-(diethylamino)propoxy]phenyl]propan-1-one;2-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one;4-(3-piperidin-1-ylpropoxy)benzaldehyde
CID 172731670
1-[4-[3-(azepan-1-yl)-2-methylpropoxy]phenyl]ethanone
CID 82037445
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione
CID 3078330
2-amino-4-(4-propanoylphenoxy)but-1-en-1-one
CID 176536189
4-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 2236078
1-[4-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 24613914
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione;dihydrochloride
CID 3078329

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide (CID 87563452) is N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide is CCC(=O)c1ccc(OCCC(=O)N(O)C(C)CN2CCCC2)cc1.
What is the InChIKey of N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The InChIKey is YYMSHXVIMICPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-18(22)16-6-8-17(9-7-16)25-13-10-19(23)21(24)15(2)14-20-11-4-5-12-20/h6-9,15,24H,3-5,10-14H2,1-2H3.
What are the key properties of N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide?
N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide has a molecular weight of 348.44 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-propanoylphenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 87563452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).