2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide

C17H31N3O3 — CID 120791442

IUPAC2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCNC(=O)CC1CCCCC1)C1CCOCC1
InChIInChI=1S/C17H31N3O3/c18-16(14-6-10-23-11-7-14)17(22)20-9-8-19-15(21)12-13-4-2-1-3-5-13/h13-14,16H,1-12,18H2,(H,19,21)(H,20,22)
InChIKeyQQYIZSPJDDUGLB-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.94
Rot. Bonds7

About 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120791442) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120791442
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCCNC(=O)CC1CCCCC1)C1CCOCC1
InChIInChI=1S/C17H31N3O3/c18-16(14-6-10-23-11-7-14)17(22)20-9-8-19-15(21)12-13-4-2-1-3-5-13/h13-14,16H,1-12,18H2,(H,19,21)(H,20,22)
InChIKeyQQYIZSPJDDUGLB-UHFFFAOYSA-N
XLogP0.94
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.94
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-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(2-cyclohexyloxyethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789515
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
CID 120789495
2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793045
2-amino-N-(4-cyclohexylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793833
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
2-amino-N-(3-methylsulfanylpropyl)-2-(oxan-4-yl)acetamide
CID 120785888
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide (CID 120791442) is 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCCNC(=O)CC1CCCCC1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is QQYIZSPJDDUGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c18-16(14-6-10-23-11-7-14)17(22)20-9-8-19-15(21)12-13-4-2-1-3-5-13/h13-14,16H,1-12,18H2,(H,19,21)(H,20,22).
What are the key properties of 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120791442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).