methyl N-[oxan-4-yl(propanoyl)amino]carbamate

C10H18N2O4 — CID 130401621

IUPACmethyl N-[oxan-4-yl(propanoyl)amino]carbamate
SMILESCCC(=O)N(NC(=O)OC)C1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-3-9(13)12(11-10(14)15-2)8-4-6-16-7-5-8/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyLPMUJPSXRVHBDE-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.68
Rot. Bonds2

About methyl N-[oxan-4-yl(propanoyl)amino]carbamate

methyl N-[oxan-4-yl(propanoyl)amino]carbamate (PubChem CID 130401621) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl N-[oxan-4-yl(propanoyl)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[oxan-4-yl(propanoyl)amino]carbamate
PubChem CID130401621
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl N-[oxan-4-yl(propanoyl)amino]carbamate
SMILESCCC(=O)N(NC(=O)OC)C1CCOCC1
InChIInChI=1S/C10H18N2O4/c1-3-9(13)12(11-10(14)15-2)8-4-6-16-7-5-8/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyLPMUJPSXRVHBDE-UHFFFAOYSA-N
XLogP0.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
2-ethoxy-N-methyl-N-(oxan-4-yl)acetamide
CID 64591717
ethyl 2-[methyl(oxan-4-yl)amino]acetate
CID 43611424
methyl N-tert-butyl-N-(oxan-4-yl)carbamate
CID 23087104
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
2-amino-N-(2-methoxyethyl)-N-(oxan-4-yl)acetamide
CID 121203582
2-[methyl(oxan-4-yl)amino]pentan-3-one
CID 64868191
methyl 4-hydroxyoxane-3-carboxylate
CID 82596115
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
1-cyclopropyl-1-(oxan-4-yl)-3-propylurea
CID 110874794

Frequently Asked Questions

What is the IUPAC name of methyl N-[oxan-4-yl(propanoyl)amino]carbamate?
The IUPAC name of methyl N-[oxan-4-yl(propanoyl)amino]carbamate (CID 130401621) is methyl N-[oxan-4-yl(propanoyl)amino]carbamate.
What is the SMILES notation for methyl N-[oxan-4-yl(propanoyl)amino]carbamate?
The canonical SMILES for methyl N-[oxan-4-yl(propanoyl)amino]carbamate is CCC(=O)N(NC(=O)OC)C1CCOCC1.
What is the InChIKey of methyl N-[oxan-4-yl(propanoyl)amino]carbamate?
The InChIKey is LPMUJPSXRVHBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-9(13)12(11-10(14)15-2)8-4-6-16-7-5-8/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of methyl N-[oxan-4-yl(propanoyl)amino]carbamate?
methyl N-[oxan-4-yl(propanoyl)amino]carbamate has a molecular weight of 230.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[oxan-4-yl(propanoyl)amino]carbamate is sourced from PubChem (CID 130401621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).