N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide

C16H23N3O2 — CID 62985534

IUPACN-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
SMILESCOCCCN(C)CCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-19(11-6-12-21-2)10-5-9-16(20)18-15-8-4-3-7-14(15)13-17/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,18,20)
InChIKeyHAZPNPWPMXPZEC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.25
Rot. Bonds9

About N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide

N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide (PubChem CID 62985534) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
PubChem CID62985534
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
SMILESCOCCCN(C)CCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H23N3O2/c1-19(11-6-12-21-2)10-5-9-16(20)18-15-8-4-3-7-14(15)13-17/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,18,20)
InChIKeyHAZPNPWPMXPZEC-UHFFFAOYSA-N
XLogP2.25
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
N-(2-cyanophenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 64690595
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
2-[butan-2-yl(2-methoxyethyl)amino]-N-(2-cyanophenyl)acetamide
CID 60967697
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 37465986
N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959798
N-(2-cyanophenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63864973

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
The IUPAC name of N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide (CID 62985534) is N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide is COCCCN(C)CCCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
The InChIKey is HAZPNPWPMXPZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(11-6-12-21-2)10-5-9-16(20)18-15-8-4-3-7-14(15)13-17/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide?
N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide has a molecular weight of 289.38 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide is sourced from PubChem (CID 62985534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).