N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide

C15H22N2O3 — CID 111433432

IUPACN-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
SMILESCC(O)CCNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(18)9-11-16-14(19)8-5-10-17-15(20)13-6-3-2-4-7-13/h2-4,6-7,12,18H,5,8-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyAMYNQNNDZVZSMP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.08
Rot. Bonds8

About N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide

N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide (PubChem CID 111433432) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
PubChem CID111433432
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
SMILESCC(O)CCNC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(18)9-11-16-14(19)8-5-10-17-15(20)13-6-3-2-4-7-13/h2-4,6-7,12,18H,5,8-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyAMYNQNNDZVZSMP-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071
propan-2-yl 3-(4-benzamidobutanoylamino)propanoate
CID 51256546
N-[4-[[(2R)-2-(ethylamino)propyl]amino]-4-oxobutyl]benzamide
CID 120653741
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-(4-oxopentyl)benzamide
CID 10798281
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-(5-methyl-4-methylidenehexyl)benzamide
CID 24750673

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide (CID 111433432) is N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide is CC(O)CCNC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide?
The InChIKey is AMYNQNNDZVZSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(18)9-11-16-14(19)8-5-10-17-15(20)13-6-3-2-4-7-13/h2-4,6-7,12,18H,5,8-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide?
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 111433432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).