2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide

C19H28N2O3 — CID 113162917

IUPAC2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
SMILESCOc1ccccc1CN(CC(=O)NC1CCCCCC1)C(C)=O
InChIInChI=1S/C19H28N2O3/c1-15(22)21(13-16-9-7-8-12-18(16)24-2)14-19(23)20-17-10-5-3-4-6-11-17/h7-9,12,17H,3-6,10-11,13-14H2,1-2H3,(H,20,23)
InChIKeyFQKPPLBNZIJQAR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.88
Rot. Bonds6

About 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide

2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide (PubChem CID 113162917) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
PubChem CID113162917
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
SMILESCOc1ccccc1CN(CC(=O)NC1CCCCCC1)C(C)=O
InChIInChI=1S/C19H28N2O3/c1-15(22)21(13-16-9-7-8-12-18(16)24-2)14-19(23)20-17-10-5-3-4-6-11-17/h7-9,12,17H,3-6,10-11,13-14H2,1-2H3,(H,20,23)
InChIKeyFQKPPLBNZIJQAR-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-cyclopropylacetamide
CID 113164478
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxobut-2-enamide
CID 3216066
2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113163426
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113119754
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113162989

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide (CID 113162917) is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide is COc1ccccc1CN(CC(=O)NC1CCCCCC1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide?
The InChIKey is FQKPPLBNZIJQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(22)21(13-16-9-7-8-12-18(16)24-2)14-19(23)20-17-10-5-3-4-6-11-17/h7-9,12,17H,3-6,10-11,13-14H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide?
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide has a molecular weight of 332.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide is sourced from PubChem (CID 113162917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).