2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride

C14H28ClN3O2 — CID 119620746

IUPAC2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
SMILESCC(=O)N(C)CC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-12(18)17(2)11-14(19)16-10-9-15-13-7-5-3-4-6-8-13;/h13,15H,3-11H2,1-2H3,(H,16,19);1H
InChIKeyFMJDVTBAXIMJGN-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.32
Rot. Bonds6

About 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride

2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride (PubChem CID 119620746) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
PubChem CID119620746
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride
SMILESCC(=O)N(C)CC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-12(18)17(2)11-14(19)16-10-9-15-13-7-5-3-4-6-8-13;/h13,15H,3-11H2,1-2H3,(H,16,19);1H
InChIKeyFMJDVTBAXIMJGN-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-[2-(cycloheptylamino)ethyl]-4,4,4-trifluorobutanamide;hydrochloride
CID 119621375
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
2-(cyclopentylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 60963540
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
CID 119619598
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
CID 119619696
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride (CID 119620746) is 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride is CC(=O)N(C)CC(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride?
The InChIKey is FMJDVTBAXIMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-12(18)17(2)11-14(19)16-10-9-15-13-7-5-3-4-6-8-13;/h13,15H,3-11H2,1-2H3,(H,16,19);1H.
What are the key properties of 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride?
2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[2-(cycloheptylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119620746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).