N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide

C13H24ClNO2 — CID 106307018

IUPACN-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCCOCCCl)CC1
InChIInChI=1S/C13H24ClNO2/c1-11-3-5-12(6-4-11)13(16)15-8-2-9-17-10-7-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyPXXRUNHYSFWKIS-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.57
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide

N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 106307018) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
PubChem CID106307018
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC NameN-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCCCOCCCl)CC1
InChIInChI=1S/C13H24ClNO2/c1-11-3-5-12(6-4-11)13(16)15-8-2-9-17-10-7-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyPXXRUNHYSFWKIS-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-(6-hydroxyhexyl)-4-methylcyclohexane-1-carboxamide
CID 113351776
hydroxy-[3-[(4-methylcyclohexanecarbonyl)amino]propyl]silanide;scandium
CID 153224944
N-[3-(2-chloroethoxy)propyl]-2-propoxyacetamide
CID 106306751
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
iodo 6-[(4-methylcyclohexanecarbonyl)amino]hexanoate
CID 144908622
N-[2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111239506
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106306525
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
N-[2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111406361

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide (CID 106307018) is N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCCCOCCCl)CC1.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is PXXRUNHYSFWKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c1-11-3-5-12(6-4-11)13(16)15-8-2-9-17-10-7-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide?
N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 261.79 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106307018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).