2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide

C28H40N2O2 — CID 132670980

IUPAC2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C28H40N2O2/c1-7-26(32-25-14-10-23(11-15-25)28(4,5)6)27(31)29-21(3)22-8-12-24(13-9-22)30-18-16-20(2)17-19-30/h8-15,20-21,26H,7,16-19H2,1-6H3,(H,29,31)
InChIKeyPNZIDHDSCUSQIB-UHFFFAOYSA-N
MW436.64 g/mol
LogP6.26
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide

2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide (PubChem CID 132670980) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
PubChem CID132670980
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
SMILESCCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C28H40N2O2/c1-7-26(32-25-14-10-23(11-15-25)28(4,5)6)27(31)29-21(3)22-8-12-24(13-9-22)30-18-16-20(2)17-19-30/h8-15,20-21,26H,7,16-19H2,1-6H3,(H,29,31)
InChIKeyPNZIDHDSCUSQIB-UHFFFAOYSA-N
XLogP6.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
CID 125052438
N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 132669057
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044759
N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184920
(2S)-2-(4-tert-butylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 100507876
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125043999
(E)-3-(4-tert-butylphenyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 99998222
(2S)-2-(2,4-dimethylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044572
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044052
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132658442
2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
2-(2-methoxyphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 132660324

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide (CID 132670980) is 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide is CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NC(C)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide?
The InChIKey is PNZIDHDSCUSQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-7-26(32-25-14-10-23(11-15-25)28(4,5)6)27(31)29-21(3)22-8-12-24(13-9-22)30-18-16-20(2)17-19-30/h8-15,20-21,26H,7,16-19H2,1-6H3,(H,29,31).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide?
2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide has a molecular weight of 436.64 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 132670980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).