N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide

C11H22N4O3 — CID 83110182

IUPACN-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCNC(N)=O
InChIInChI=1S/C11H22N4O3/c1-2-3-13-9-7-18-6-8(9)10(16)14-4-5-15-11(12)17/h8-9,13H,2-7H2,1H3,(H,14,16)(H3,12,15,17)
InChIKeySTABYRAZOWDQRW-UHFFFAOYSA-N
MW258.32 g/mol
LogP-1.21
Rot. Bonds7

About N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide

N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 83110182) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID83110182
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC NameN-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCNC(N)=O
InChIInChI=1S/C11H22N4O3/c1-2-3-13-9-7-18-6-8(9)10(16)14-4-5-15-11(12)17/h8-9,13H,2-7H2,1H3,(H,14,16)(H3,12,15,17)
InChIKeySTABYRAZOWDQRW-UHFFFAOYSA-N
XLogP-1.21
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(propylamino)oxolane-3-carboxamide
CID 106175544
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
4-(propylamino)-N-(2-thiomorpholin-4-ylethyl)oxolane-3-carboxamide
CID 106325214
N-[(2-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 107418568
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide (CID 83110182) is N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCNC(N)=O.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is STABYRAZOWDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-2-3-13-9-7-18-6-8(9)10(16)14-4-5-15-11(12)17/h8-9,13H,2-7H2,1H3,(H,14,16)(H3,12,15,17).
What are the key properties of N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 83110182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).