4-amino-N-octan-2-yl-4-phenylbutanamide

C18H30N2O — CID 63323854

IUPAC4-amino-N-octan-2-yl-4-phenylbutanamide
SMILESCCCCCCC(C)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-4-5-7-10-15(2)20-18(21)14-13-17(19)16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14,19H2,1-2H3,(H,20,21)
InChIKeyPNJZPPIZSKGAHL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.94
Rot. Bonds10

About 4-amino-N-octan-2-yl-4-phenylbutanamide

4-amino-N-octan-2-yl-4-phenylbutanamide (PubChem CID 63323854) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-amino-N-octan-2-yl-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-octan-2-yl-4-phenylbutanamide
PubChem CID63323854
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-amino-N-octan-2-yl-4-phenylbutanamide
SMILESCCCCCCC(C)NC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-3-4-5-7-10-15(2)20-18(21)14-13-17(19)16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14,19H2,1-2H3,(H,20,21)
InChIKeyPNJZPPIZSKGAHL-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
1-phenyldecan-1-amine
CID 43175860
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
chloromethane;1-phenyltridecan-1-amine
CID 175245788
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664
1-phenylhexan-1-amine;hydrochloride
CID 3033249

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-octan-2-yl-4-phenylbutanamide?
The IUPAC name of 4-amino-N-octan-2-yl-4-phenylbutanamide (CID 63323854) is 4-amino-N-octan-2-yl-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-octan-2-yl-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-octan-2-yl-4-phenylbutanamide is CCCCCCC(C)NC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-octan-2-yl-4-phenylbutanamide?
The InChIKey is PNJZPPIZSKGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-4-5-7-10-15(2)20-18(21)14-13-17(19)16-11-8-6-9-12-16/h6,8-9,11-12,15,17H,3-5,7,10,13-14,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-octan-2-yl-4-phenylbutanamide?
4-amino-N-octan-2-yl-4-phenylbutanamide has a molecular weight of 290.45 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-octan-2-yl-4-phenylbutanamide is sourced from PubChem (CID 63323854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).