methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate

C17H28N2O3 — CID 90996161

IUPACmethyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate
SMILESCCOCCCCCNc1ccc(CCNC(=O)OC)cc1
InChIInChI=1S/C17H28N2O3/c1-3-22-14-6-4-5-12-18-16-9-7-15(8-10-16)11-13-19-17(20)21-2/h7-10,18H,3-6,11-14H2,1-2H3,(H,19,20)
InChIKeyNNBOQMUUIAPENC-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.20
Rot. Bonds11

About methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate

methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate (PubChem CID 90996161) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate
PubChem CID90996161
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Namemethyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate
SMILESCCOCCCCCNc1ccc(CCNC(=O)OC)cc1
InChIInChI=1S/C17H28N2O3/c1-3-22-14-6-4-5-12-18-16-9-7-15(8-10-16)11-13-19-17(20)21-2/h7-10,18H,3-6,11-14H2,1-2H3,(H,19,20)
InChIKeyNNBOQMUUIAPENC-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 54545171
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CID 65176145
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
tert-butyl N-[2-[4-(6-bromohexoxymethyl)phenyl]ethyl]carbamate
CID 122595944
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
N-[4-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111221838
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
N-[4-[2-[[N'-(4-ethoxybutyl)-N-ethylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111944142
4-(2-chloroethyl)-N-(2-ethoxyethyl)aniline
CID 65024049
methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate (CID 90996161) is methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate is CCOCCCCCNc1ccc(CCNC(=O)OC)cc1.
What is the InChIKey of methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate?
The InChIKey is NNBOQMUUIAPENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-22-14-6-4-5-12-18-16-9-7-15(8-10-16)11-13-19-17(20)21-2/h7-10,18H,3-6,11-14H2,1-2H3,(H,19,20).
What are the key properties of methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate?
methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-(5-ethoxypentylamino)phenyl]ethyl]carbamate is sourced from PubChem (CID 90996161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).