N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C23H31N3O2 — CID 119620405

IUPACN-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCCNC1CCCCCC1
InChIInChI=1S/C23H31N3O2/c27-22(16-19-10-7-9-18-8-5-6-13-21(18)19)26-17-23(28)25-15-14-24-20-11-3-1-2-4-12-20/h5-10,13,20,24H,1-4,11-12,14-17H2,(H,25,28)(H,26,27)
InChIKeyHXYFXTDFLJLCFT-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.93
Rot. Bonds8

About N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 119620405) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID119620405
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCCNC1CCCCCC1
InChIInChI=1S/C23H31N3O2/c27-22(16-19-10-7-9-18-8-5-6-13-21(18)19)26-17-23(28)25-15-14-24-20-11-3-1-2-4-12-20/h5-10,13,20,24H,1-4,11-12,14-17H2,(H,25,28)(H,26,27)
InChIKeyHXYFXTDFLJLCFT-UHFFFAOYSA-N
XLogP2.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide 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-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
N-[2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 95172722
N-[2-[(1-methylsulfonylpiperidin-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47941634
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 119620405) is N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(CNC(=O)Cc1cccc2ccccc12)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is HXYFXTDFLJLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-22(16-19-10-7-9-18-8-5-6-13-21(18)19)26-17-23(28)25-15-14-24-20-11-3-1-2-4-12-20/h5-10,13,20,24H,1-4,11-12,14-17H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 381.52 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 119620405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).