N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide

C16H23N3O2 — CID 61448568

IUPACN-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1ccc(C#N)cc1)CCOC
InChIInChI=1S/C16H23N3O2/c1-3-19(11-12-21-2)10-4-5-16(20)18-15-8-6-14(13-17)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyMFUFTJCWSXUYHV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.25
Rot. Bonds9

About N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide

N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide (PubChem CID 61448568) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
PubChem CID61448568
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
SMILESCCN(CCCC(=O)Nc1ccc(C#N)cc1)CCOC
InChIInChI=1S/C16H23N3O2/c1-3-19(11-12-21-2)10-4-5-16(20)18-15-8-6-14(13-17)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyMFUFTJCWSXUYHV-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

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Related Compounds

N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468
N-(4-aminophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61444637
3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
CID 113117060
N-(4-cyanophenyl)pentanamide
CID 2162994
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-3-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61451516
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273712
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957
N-(4-cyanophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43272096
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide?
The IUPAC name of N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide (CID 61448568) is N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide is CCN(CCCC(=O)Nc1ccc(C#N)cc1)CCOC.
What is the InChIKey of N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide?
The InChIKey is MFUFTJCWSXUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19(11-12-21-2)10-4-5-16(20)18-15-8-6-14(13-17)7-9-15/h6-9H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide?
N-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)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-(4-cyanophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide is sourced from PubChem (CID 61448568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).