N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide

C16H23N3O2 — CID 107199658

IUPACN-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCN(CCCCCO)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-19(10-5-2-6-12-20)11-9-16(21)18-15-8-4-3-7-14(15)13-17/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyPLLDKZLAQIUXJM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.98
Rot. Bonds9

About N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide

N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide (PubChem CID 107199658) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
PubChem CID107199658
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
SMILESCN(CCCCCO)CCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-19(10-5-2-6-12-20)11-9-16(21)18-15-8-4-3-7-14(15)13-17/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H,18,21)
InChIKeyPLLDKZLAQIUXJM-UHFFFAOYSA-N
XLogP1.98
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009
N-(2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107204141
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62985534
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
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CID 43295810
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
CID 43824183
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide (CID 107199658) is N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide is CN(CCCCCO)CCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
The InChIKey is PLLDKZLAQIUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(10-5-2-6-12-20)11-9-16(21)18-15-8-4-3-7-14(15)13-17/h3-4,7-8,20H,2,5-6,9-12H2,1H3,(H,18,21).
What are the key properties of N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide?
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide is sourced from PubChem (CID 107199658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).