N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide

C15H23N3O3 — CID 166378581

IUPACN'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
SMILESCN(C)c1ccc(CCC(=O)NNC(=O)CCCO)cc1
InChIInChI=1S/C15H23N3O3/c1-18(2)13-8-5-12(6-9-13)7-10-15(21)17-16-14(20)4-3-11-19/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyJNYRZSCGDYWTEX-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.61
Rot. Bonds7

About N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide

N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide (PubChem CID 166378581) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide.

Molecular Properties

Compound NameN'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
PubChem CID166378581
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
SMILESCN(C)c1ccc(CCC(=O)NNC(=O)CCCO)cc1
InChIInChI=1S/C15H23N3O3/c1-18(2)13-8-5-12(6-9-13)7-10-15(21)17-16-14(20)4-3-11-19/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyJNYRZSCGDYWTEX-UHFFFAOYSA-N
XLogP0.61
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 103770356

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide?
The IUPAC name of N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide (CID 166378581) is N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide.
What is the SMILES notation for N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide?
The canonical SMILES for N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide is CN(C)c1ccc(CCC(=O)NNC(=O)CCCO)cc1.
What is the InChIKey of N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide?
The InChIKey is JNYRZSCGDYWTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(2)13-8-5-12(6-9-13)7-10-15(21)17-16-14(20)4-3-11-19/h5-6,8-9,19H,3-4,7,10-11H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide?
N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide has a molecular weight of 293.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide is sourced from PubChem (CID 166378581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).