N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide

C14H19N3O4 — CID 110370646

IUPACN-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
SMILESCCCNC(=O)NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19N3O4/c1-2-6-15-14(19)16-7-5-13(18)17-10-3-4-11-12(8-10)21-9-20-11/h3-4,8H,2,5-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJWIXXGYPGVRCNT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.45
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide

N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide (PubChem CID 110370646) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
PubChem CID110370646
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
SMILESCCCNC(=O)NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H19N3O4/c1-2-6-15-14(19)16-7-5-13(18)17-10-3-4-11-12(8-10)21-9-20-11/h3-4,8H,2,5-7,9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJWIXXGYPGVRCNT-UHFFFAOYSA-N
XLogP1.45
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152
N-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylanilino)propanamide
CID 109035569
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide (CID 110370646) is N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide is CCCNC(=O)NCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide?
The InChIKey is JWIXXGYPGVRCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-6-15-14(19)16-7-5-13(18)17-10-3-4-11-12(8-10)21-9-20-11/h3-4,8H,2,5-7,9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide has a molecular weight of 293.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide is sourced from PubChem (CID 110370646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).