5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide

C18H30N2O — CID 21333821

IUPAC5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide
SMILESCCC(C)N(CC)CCCCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H30N2O/c1-5-16(4)20(6-2)13-8-7-12-18(21)19-17-11-9-10-15(3)14-17/h9-11,14,16H,5-8,12-13H2,1-4H3,(H,19,21)
InChIKeyGEKWKZRHSZYOCT-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.22
Rot. Bonds9

About 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide

5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide (PubChem CID 21333821) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide
PubChem CID21333821
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide
SMILESCCC(C)N(CC)CCCCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H30N2O/c1-5-16(4)20(6-2)13-8-7-12-18(21)19-17-11-9-10-15(3)14-17/h9-11,14,16H,5-8,12-13H2,1-4H3,(H,19,21)
InChIKeyGEKWKZRHSZYOCT-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine
CID 20728490
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
N-(3-methylphenyl)-4-[methyl(piperidin-4-yl)amino]butanamide
CID 43607677
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide?
The IUPAC name of 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide (CID 21333821) is 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide.
What is the SMILES notation for 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide?
The canonical SMILES for 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide is CCC(C)N(CC)CCCCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide?
The InChIKey is GEKWKZRHSZYOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-16(4)20(6-2)13-8-7-12-18(21)19-17-11-9-10-15(3)14-17/h9-11,14,16H,5-8,12-13H2,1-4H3,(H,19,21).
What are the key properties of 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide?
5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide has a molecular weight of 290.45 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(ethyl)amino]-N-(3-methylphenyl)pentanamide is sourced from PubChem (CID 21333821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).