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

C13H26N4O3 — CID 83110481

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C13H26N4O3/c1-4-5-14-11-9-20-8-10(11)12(18)15-6-7-16-13(19)17(2)3/h10-11,14H,4-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyISNXOBWLNSJEPU-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.61
Rot. Bonds7

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

N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 83110481) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID83110481
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C13H26N4O3/c1-4-5-14-11-9-20-8-10(11)12(18)15-6-7-16-13(19)17(2)3/h10-11,14H,4-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyISNXOBWLNSJEPU-UHFFFAOYSA-N
XLogP-0.61
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 66258496
N-methyl-4-(methylamino)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 66266806
N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66267589
4-amino-N-(2-methylpropyl)oxolane-3-carboxamide
CID 66239389
(3R,4S)-4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 163395457
[(3S)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-3-yl]urea
CID 177272383
[(3S)-1-[(3S)-oxolane-3-carbonyl]pyrrolidin-3-yl]urea
CID 177755380
N-(2-amino-3-methoxypropyl)-N-methyloxolane-3-carboxamide
CID 63754560
3-amino-N-[3-(dimethylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891540
3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891541
4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 64891943
3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide
CID 64892175

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide (CID 83110481) is N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCNC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is ISNXOBWLNSJEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-4-5-14-11-9-20-8-10(11)12(18)15-6-7-16-13(19)17(2)3/h10-11,14H,4-9H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 83110481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).