ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide

C18H33N3O2 — CID 156866580

IUPACethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide
SMILESCC.CNC(=O)CNCCNCCCCCOc1ccccc1
InChIInChI=1S/C16H27N3O2.C2H6/c1-17-16(20)14-19-12-11-18-10-6-3-7-13-21-15-8-4-2-5-9-15;1-2/h2,4-5,8-9,18-19H,3,6-7,10-14H2,1H3,(H,17,20);1-2H3
InChIKeyFEUVAWIKUQQNTD-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.19
Rot. Bonds12

About ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide

ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide (PubChem CID 156866580) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide
PubChem CID156866580
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Nameethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide
SMILESCC.CNC(=O)CNCCNCCCCCOc1ccccc1
InChIInChI=1S/C16H27N3O2.C2H6/c1-17-16(20)14-19-12-11-18-10-6-3-7-13-21-15-8-4-2-5-9-15;1-2/h2,4-5,8-9,18-19H,3,6-7,10-14H2,1H3,(H,17,20);1-2H3
InChIKeyFEUVAWIKUQQNTD-UHFFFAOYSA-N
XLogP2.19
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
CID 25165875
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
2-(2-phenoxyethylamino)acetic acid
CID 13236095
3-[[2-(methylamino)-2-oxoethyl]amino]propyl-triphenylphosphanium
CID 89463085
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
4-(2-sulfosulfanylethylamino)butoxybenzene
CID 119088270
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide?
The IUPAC name of ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide (CID 156866580) is ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide.
What is the SMILES notation for ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide?
The canonical SMILES for ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide is CC.CNC(=O)CNCCNCCCCCOc1ccccc1.
What is the InChIKey of ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide?
The InChIKey is FEUVAWIKUQQNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.C2H6/c1-17-16(20)14-19-12-11-18-10-6-3-7-13-21-15-8-4-2-5-9-15;1-2/h2,4-5,8-9,18-19H,3,6-7,10-14H2,1H3,(H,17,20);1-2H3.
What are the key properties of ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide?
ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide has a molecular weight of 323.48 g/mol, XLogP of 2.19, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[2-(5-phenoxypentylamino)ethylamino]acetamide is sourced from PubChem (CID 156866580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).