N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide

C15H28N2O4 — CID 134349320

IUPACN-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide
SMILESCOCC(=O)N(C)C(C)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-11(17(2)13(18)10-21-3)14(19)15(20)16-9-12-7-5-4-6-8-12/h11-12,14,19H,4-10H2,1-3H3,(H,16,20)
InChIKeyKTRNNBZUJQIYSB-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.54
Rot. Bonds7

About N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide

N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide (PubChem CID 134349320) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide
PubChem CID134349320
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC NameN-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide
SMILESCOCC(=O)N(C)C(C)C(O)C(=O)NCC1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-11(17(2)13(18)10-21-3)14(19)15(20)16-9-12-7-5-4-6-8-12/h11-12,14,19H,4-10H2,1-3H3,(H,16,20)
InChIKeyKTRNNBZUJQIYSB-UHFFFAOYSA-N
XLogP0.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide
CID 134349452
N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 134349292
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462618
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
3-cyclohexyloxy-N-(cyclopentylmethyl)-2,3-dihydroxypropanamide
CID 134356264
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide (CID 134349320) is N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide is COCC(=O)N(C)C(C)C(O)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide?
The InChIKey is KTRNNBZUJQIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(17(2)13(18)10-21-3)14(19)15(20)16-9-12-7-5-4-6-8-12/h11-12,14,19H,4-10H2,1-3H3,(H,16,20).
What are the key properties of N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide?
N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide has a molecular weight of 300.40 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide is sourced from PubChem (CID 134349320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).