N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide

C16H31N3O3 — CID 119767246

IUPACN-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(NC(=O)CNCCOC)CCCCC1
InChIInChI=1S/C16H31N3O3/c1-3-4-10-18-15(21)16(8-6-5-7-9-16)19-14(20)13-17-11-12-22-2/h17H,3-13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQGMXQGAVAZXSDR-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.96
Rot. Bonds10

About N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide

N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 119767246) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID119767246
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC NameN-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(NC(=O)CNCCOC)CCCCC1
InChIInChI=1S/C16H31N3O3/c1-3-4-10-18-15(21)16(8-6-5-7-9-16)19-14(20)13-17-11-12-22-2/h17H,3-13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQGMXQGAVAZXSDR-UHFFFAOYSA-N
XLogP0.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.96
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

2-(2-methoxyethylamino)-N-(1-methylcyclohexyl)acetamide;hydrochloride
CID 119736484
2-(2-methoxyethylamino)-N-(1-methylcyclopentyl)acetamide
CID 79282104
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
2-(butylamino)-N-(2-methoxyethyl)acetamide
CID 54815346
2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 78914071
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-(2-methoxyethyl)-2-(nonylamino)acetamide
CID 115574845
2-(hexylamino)-N-(2-methoxyethyl)acetamide
CID 60649576
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide (CID 119767246) is N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide is CCCCNC(=O)C1(NC(=O)CNCCOC)CCCCC1.
What is the InChIKey of N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is QGMXQGAVAZXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-3-4-10-18-15(21)16(8-6-5-7-9-16)19-14(20)13-17-11-12-22-2/h17H,3-13H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide?
N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.96, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 119767246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).