N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide

C16H24N2O2 — CID 114457002

IUPACN-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
SMILESCOc1ccc(NC(=O)CC2CCCCCC2)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-20-13-8-9-15(14(17)11-13)18-16(19)10-12-6-4-2-3-5-7-12/h8-9,11-12H,2-7,10,17H2,1H3,(H,18,19)
InChIKeyOQFMPYCTLWVOMY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.58
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide

N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide (PubChem CID 114457002) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
PubChem CID114457002
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
SMILESCOc1ccc(NC(=O)CC2CCCCCC2)c(N)c1
InChIInChI=1S/C16H24N2O2/c1-20-13-8-9-15(14(17)11-13)18-16(19)10-12-6-4-2-3-5-7-12/h8-9,11-12H,2-7,10,17H2,1H3,(H,18,19)
InChIKeyOQFMPYCTLWVOMY-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
N-(2-amino-4-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66321735
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
CID 114457006
N-(2-amino-4-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453682
N-(2-aminophenyl)-2-cyclopentylacetamide;hydrochloride
CID 119259903
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide
CID 43296339

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide (CID 114457002) is N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide is COc1ccc(NC(=O)CC2CCCCCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide?
The InChIKey is OQFMPYCTLWVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-13-8-9-15(14(17)11-13)18-16(19)10-12-6-4-2-3-5-7-12/h8-9,11-12H,2-7,10,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide?
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide has a molecular weight of 276.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide is sourced from PubChem (CID 114457002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).