N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide

C15H30N2O3 — CID 111462618

IUPACN-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
SMILESCOCC(O)CN(C)C(C)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H30N2O3/c1-12(17(2)10-14(18)11-20-3)15(19)16-9-13-7-5-4-6-8-13/h12-14,18H,4-11H2,1-3H3,(H,16,19)
InChIKeyUBAXHMHOWHOVTE-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.01
Rot. Bonds8

About N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide

N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide (PubChem CID 111462618) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
PubChem CID111462618
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
SMILESCOCC(O)CN(C)C(C)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H30N2O3/c1-12(17(2)10-14(18)11-20-3)15(19)16-9-13-7-5-4-6-8-13/h12-14,18H,4-11H2,1-3H3,(H,16,19)
InChIKeyUBAXHMHOWHOVTE-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclooctylmethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426766
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 54993673
N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide
CID 134349320
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-[2-hydroxypropyl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 62334710
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 78870121
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide (CID 111462618) is N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide is COCC(O)CN(C)C(C)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
The InChIKey is UBAXHMHOWHOVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(17(2)10-14(18)11-20-3)15(19)16-9-13-7-5-4-6-8-13/h12-14,18H,4-11H2,1-3H3,(H,16,19).
What are the key properties of N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide?
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide has a molecular weight of 286.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide is sourced from PubChem (CID 111462618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).