N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide

C20H30N2O4 — CID 78890755

IUPACN-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCCCOc1ccc(C(C)NC(=O)CN2CCCCC2=O)cc1OC
InChIInChI=1S/C20H30N2O4/c1-4-5-12-26-17-10-9-16(13-18(17)25-3)15(2)21-19(23)14-22-11-7-6-8-20(22)24/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,21,23)
InChIKeyHUBFHOYMKVOPHJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.06
Rot. Bonds9

About N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78890755) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78890755
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESCCCCOc1ccc(C(C)NC(=O)CN2CCCCC2=O)cc1OC
InChIInChI=1S/C20H30N2O4/c1-4-5-12-26-17-10-9-16(13-18(17)25-3)15(2)21-19(23)14-22-11-7-6-8-20(22)24/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,21,23)
InChIKeyHUBFHOYMKVOPHJ-UHFFFAOYSA-N
XLogP3.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948
N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864329
1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119736423
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9162188
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 78890755) is N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide is CCCCOc1ccc(C(C)NC(=O)CN2CCCCC2=O)cc1OC.
What is the InChIKey of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is HUBFHOYMKVOPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-5-12-26-17-10-9-16(13-18(17)25-3)15(2)21-19(23)14-22-11-7-6-8-20(22)24/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78890755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).