N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide

C13H25N3O4 — CID 174869173

IUPACN-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
SMILESCOCC(NC(=O)C(O)C(C)C)C(=O)N1CCCCN1
InChIInChI=1S/C13H25N3O4/c1-9(2)11(17)12(18)15-10(8-20-3)13(19)16-7-5-4-6-14-16/h9-11,14,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyXJUVACSTNHQMQV-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.74
Rot. Bonds6

About N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide

N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide (PubChem CID 174869173) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
PubChem CID174869173
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC NameN-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide
SMILESCOCC(NC(=O)C(O)C(C)C)C(=O)N1CCCCN1
InChIInChI=1S/C13H25N3O4/c1-9(2)11(17)12(18)15-10(8-20-3)13(19)16-7-5-4-6-14-16/h9-11,14,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyXJUVACSTNHQMQV-UHFFFAOYSA-N
XLogP-0.74
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trichloroethyl (3S)-1-[2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]-3-methoxypropanoyl]diazinane-3-carboxylate
CID 118175724
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-cyclopentyl-N-[1-(diazinan-1-yl)-1-oxopropan-2-yl]propanamide
CID 166116250
methyl (3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 163607557
1-(diazinan-1-yl)-3-methylbutan-1-one
CID 126990065
propan-2-yl diazepane-1-carboxylate
CID 142097797
2,2,2-trichloroethyl 1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 122448940
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
CID 65049341
3-methoxy-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 81081570

Frequently Asked Questions

What is the IUPAC name of N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide?
The IUPAC name of N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide (CID 174869173) is N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide is COCC(NC(=O)C(O)C(C)C)C(=O)N1CCCCN1.
What is the InChIKey of N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide?
The InChIKey is XJUVACSTNHQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-9(2)11(17)12(18)15-10(8-20-3)13(19)16-7-5-4-6-14-16/h9-11,14,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide?
N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide has a molecular weight of 287.36 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diazinan-1-yl)-3-methoxy-1-oxopropan-2-yl]-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 174869173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).