N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide

C17H31N3O3 — CID 87014178

IUPACN-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCCCOC1CCCCC1)CC(=O)NC1CC1
InChIInChI=1S/C17H31N3O3/c1-20(13-17(22)19-14-8-9-14)12-16(21)18-10-5-11-23-15-6-3-2-4-7-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyHRLSORPGLHGVID-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.05
Rot. Bonds10

About N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide

N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 87014178) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID87014178
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NCCCOC1CCCCC1)CC(=O)NC1CC1
InChIInChI=1S/C17H31N3O3/c1-20(13-17(22)19-14-8-9-14)12-16(21)18-10-5-11-23-15-6-3-2-4-7-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyHRLSORPGLHGVID-UHFFFAOYSA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.05
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

N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 87017395
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 87016434
4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 60503006
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea
CID 48915772
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide
CID 177358183
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide (CID 87014178) is N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NCCCOC1CCCCC1)CC(=O)NC1CC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is HRLSORPGLHGVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-20(13-17(22)19-14-8-9-14)12-16(21)18-10-5-11-23-15-6-3-2-4-7-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide?
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 325.45 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 87014178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).