N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide

C27H37N3O3 — CID 19791621

IUPACN-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide
SMILESCCNC(=O)CN(C(=O)C(CC)c1ccccc1)N1CCC(C)(c2cccc(O)c2)C(C)C1
InChIInChI=1S/C27H37N3O3/c1-5-24(21-11-8-7-9-12-21)26(33)30(19-25(32)28-6-2)29-16-15-27(4,20(3)18-29)22-13-10-14-23(31)17-22/h7-14,17,20,24,31H,5-6,15-16,18-19H2,1-4H3,(H,28,32)
InChIKeyPUVPCILIVWVNLR-UHFFFAOYSA-N
MW451.61 g/mol
LogP4.07
Rot. Bonds8

About N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide

N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide (PubChem CID 19791621) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide
PubChem CID19791621
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide
SMILESCCNC(=O)CN(C(=O)C(CC)c1ccccc1)N1CCC(C)(c2cccc(O)c2)C(C)C1
InChIInChI=1S/C27H37N3O3/c1-5-24(21-11-8-7-9-12-21)26(33)30(19-25(32)28-6-2)29-16-15-27(4,20(3)18-29)22-13-10-14-23(31)17-22/h7-14,17,20,24,31H,5-6,15-16,18-19H2,1-4H3,(H,28,32)
InChIKeyPUVPCILIVWVNLR-UHFFFAOYSA-N
XLogP4.07
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide (CID 19791621) is N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide is CCNC(=O)CN(C(=O)C(CC)c1ccccc1)N1CCC(C)(c2cccc(O)c2)C(C)C1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide?
The InChIKey is PUVPCILIVWVNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-5-24(21-11-8-7-9-12-21)26(33)30(19-25(32)28-6-2)29-16-15-27(4,20(3)18-29)22-13-10-14-23(31)17-22/h7-14,17,20,24,31H,5-6,15-16,18-19H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide?
N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide has a molecular weight of 451.61 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-N-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-phenylbutanamide is sourced from PubChem (CID 19791621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).