N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide

C17H26N2O2 — CID 114457031

IUPACN-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide
SMILESNc1ccccc1N(CCO)C(=O)CC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c18-15-9-5-6-10-16(15)19(11-12-20)17(21)13-14-7-3-1-2-4-8-14/h5-6,9-10,14,20H,1-4,7-8,11-13,18H2
InChIKeyHNJWVNFQOHLBJJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.95
Rot. Bonds5

About N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide

N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide (PubChem CID 114457031) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide
PubChem CID114457031
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide
SMILESNc1ccccc1N(CCO)C(=O)CC1CCCCCC1
InChIInChI=1S/C17H26N2O2/c18-15-9-5-6-10-16(15)19(11-12-20)17(21)13-14-7-3-1-2-4-8-14/h5-6,9-10,14,20H,1-4,7-8,11-13,18H2
InChIKeyHNJWVNFQOHLBJJ-UHFFFAOYSA-N
XLogP2.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.95
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-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-2-(2-chlorophenyl)-N-(2-hydroxyethyl)acetamide
CID 43547854
N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
CID 43547827
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 43547876
N-(2-aminophenyl)-3-ethyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 79986014
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
N-(2-aminophenyl)-2,6-dichloro-N-(2-hydroxyethyl)benzamide
CID 43547863
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
N-(2-aminophenyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65157069
(2R)-2-[[(2-aminophenyl)-(2-hydroxyethyl)carbamoyl]amino]-N-cyclopropyl-3-phenylpropanamide
CID 166795983
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide (CID 114457031) is N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide is Nc1ccccc1N(CCO)C(=O)CC1CCCCCC1.
What is the InChIKey of N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is HNJWVNFQOHLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-15-9-5-6-10-16(15)19(11-12-20)17(21)13-14-7-3-1-2-4-8-14/h5-6,9-10,14,20H,1-4,7-8,11-13,18H2.
What are the key properties of N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide?
N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-cycloheptyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 114457031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).