N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride

C18H29ClN2O2 — CID 119620664

IUPACN-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
SMILESCc1cccc(OCC(=O)NCCNC2CCCCCC2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15-7-6-10-17(13-15)22-14-18(21)20-12-11-19-16-8-4-2-3-5-9-16;/h6-7,10,13,16,19H,2-5,8-9,11-12,14H2,1H3,(H,20,21);1H
InChIKeyBSBPGWBVBKEIRC-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride (PubChem CID 119620664) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
PubChem CID119620664
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
SMILESCc1cccc(OCC(=O)NCCNC2CCCCCC2)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-15-7-6-10-17(13-15)22-14-18(21)20-12-11-19-16-8-4-2-3-5-9-16;/h6-7,10,13,16,19H,2-5,8-9,11-12,14H2,1H3,(H,20,21);1H
InChIKeyBSBPGWBVBKEIRC-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.22
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-(3-methylphenoxy)acetamide
CID 119620665
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 125167110
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride (CID 119620664) is N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride is Cc1cccc(OCC(=O)NCCNC2CCCCCC2)c1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
The InChIKey is BSBPGWBVBKEIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-15-7-6-10-17(13-15)22-14-18(21)20-12-11-19-16-8-4-2-3-5-9-16;/h6-7,10,13,16,19H,2-5,8-9,11-12,14H2,1H3,(H,20,21);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119620664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).