N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide

C20H30N2O3 — CID 113056718

IUPACN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)C2CCCCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-16(23)22(18-7-5-3-4-6-8-18)14-13-21-20(24)15-17-9-11-19(25-2)12-10-17/h9-12,18H,3-8,13-15H2,1-2H3,(H,21,24)
InChIKeyNDJWQZYUEJSDOJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.93
Rot. Bonds7

About N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113056718) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113056718
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C(C)=O)C2CCCCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-16(23)22(18-7-5-3-4-6-8-18)14-13-21-20(24)15-17-9-11-19(25-2)12-10-17/h9-12,18H,3-8,13-15H2,1-2H3,(H,21,24)
InChIKeyNDJWQZYUEJSDOJ-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052939
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056584
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide (CID 113056718) is N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C(C)=O)C2CCCCCC2)cc1.
What is the InChIKey of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NDJWQZYUEJSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(23)22(18-7-5-3-4-6-8-18)14-13-21-20(24)15-17-9-11-19(25-2)12-10-17/h9-12,18H,3-8,13-15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113056718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).