N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide

C18H28N2O — CID 114457037

IUPACN-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)CC1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-14(16-10-7-11-17(19)13-16)20(2)18(21)12-15-8-5-3-4-6-9-15/h7,10-11,13-15H,3-6,8-9,12,19H2,1-2H3
InChIKeyKHYPQRALKWQHKE-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide

N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide (PubChem CID 114457037) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
PubChem CID114457037
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)CC1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-14(16-10-7-11-17(19)13-16)20(2)18(21)12-15-8-5-3-4-6-9-15/h7,10-11,13-15H,3-6,8-9,12,19H2,1-2H3
InChIKeyKHYPQRALKWQHKE-UHFFFAOYSA-N
XLogP4.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide
CID 43549235
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164
N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
CID 43549185
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119716831
N-[1-(3-aminophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 78984491
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
N-[(5-amino-2-chlorophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457040
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
[3-[1-(dimethylamino)ethyl]phenyl] N-(1-cyclohexylpropan-2-yl)-N-methylcarbamate
CID 74428300
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide (CID 114457037) is N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide is CC(c1cccc(N)c1)N(C)C(=O)CC1CCCCCC1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide?
The InChIKey is KHYPQRALKWQHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(16-10-7-11-17(19)13-16)20(2)18(21)12-15-8-5-3-4-6-9-15/h7,10-11,13-15H,3-6,8-9,12,19H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide?
N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide has a molecular weight of 288.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 114457037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).