N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide

C12H24N2O4 — CID 66255397

IUPACN-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC(OC)OC
InChIInChI=1S/C12H24N2O4/c1-4-5-13-10-8-18-7-9(10)12(15)14-6-11(16-2)17-3/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyCAFRNGLUBYAWLD-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.26
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide

N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255397) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255397
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC(OC)OC
InChIInChI=1S/C12H24N2O4/c1-4-5-13-10-8-18-7-9(10)12(15)14-6-11(16-2)17-3/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyCAFRNGLUBYAWLD-UHFFFAOYSA-N
XLogP-0.26
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-(propylamino)oxolane-3-carboxamide
CID 106175544
3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
CID 81073307
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide (CID 66255397) is N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is CAFRNGLUBYAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-5-13-10-8-18-7-9(10)12(15)14-6-11(16-2)17-3/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 260.33 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).