N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

C14H27N3O3 — CID 77057718

IUPACN-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCC(N)=NO)C(C)C)C1C
InChIInChI=1S/C14H27N3O3/c1-8(2)17(7-6-12(15)16-19)14(18)13-9(3)10(4)20-11(13)5/h8-11,13,19H,6-7H2,1-5H3,(H2,15,16)
InChIKeyOVYUJKXYPKYYIY-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.42
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (PubChem CID 77057718) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
PubChem CID77057718
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(CCC(N)=NO)C(C)C)C1C
InChIInChI=1S/C14H27N3O3/c1-8(2)17(7-6-12(15)16-19)14(18)13-9(3)10(4)20-11(13)5/h8-11,13,19H,6-7H2,1-5H3,(H2,15,16)
InChIKeyOVYUJKXYPKYYIY-UHFFFAOYSA-N
XLogP1.42
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
CID 65159286
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylthiolane-2-carboxamide
CID 77021707
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212255
N-(3-aminopropyl)-2,4,5-trimethyl-N-(2-methylpropyl)oxolane-3-carboxamide
CID 65152273
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107690844
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 76937040
N-(3-amino-3-hydroxyiminopropyl)-3-ethyl-N-propan-2-ylthiophene-2-carboxamide
CID 79975897
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 76983737
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide (CID 77057718) is N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(CCC(N)=NO)C(C)C)C1C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
The InChIKey is OVYUJKXYPKYYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-8(2)17(7-6-12(15)16-19)14(18)13-9(3)10(4)20-11(13)5/h8-11,13,19H,6-7H2,1-5H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide is sourced from PubChem (CID 77057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).