N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide

C17H26N2O2 — CID 60980286

IUPACN-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCCCCC2O)c1
InChIInChI=1S/C17H26N2O2/c1-12(18-16-9-4-3-5-10-17(16)21)14-7-6-8-15(11-14)19-13(2)20/h6-8,11-12,16-18,21H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyGTQQJYHQRYAFBT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.99
Rot. Bonds4

About N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide (PubChem CID 60980286) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
PubChem CID60980286
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC2CCCCCC2O)c1
InChIInChI=1S/C17H26N2O2/c1-12(18-16-9-4-3-5-10-17(16)21)14-7-6-8-15(11-14)19-13(2)20/h6-8,11-12,16-18,21H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyGTQQJYHQRYAFBT-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide (CID 60980286) is N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NC2CCCCCC2O)c1.
What is the InChIKey of N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide?
The InChIKey is GTQQJYHQRYAFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(18-16-9-4-3-5-10-17(16)21)14-7-6-8-15(11-14)19-13(2)20/h6-8,11-12,16-18,21H,3-5,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 60980286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).