5,7-bis(carbamoylamino)heptan-3-ylurea

C10H22N6O3 — CID 154207016

IUPAC5,7-bis(carbamoylamino)heptan-3-ylurea
SMILESCCC(CC(CCNC(N)=O)NC(N)=O)NC(N)=O
InChIInChI=1S/C10H22N6O3/c1-2-6(15-9(12)18)5-7(16-10(13)19)3-4-14-8(11)17/h6-7H,2-5H2,1H3,(H3,11,14,17)(H3,12,15,18)(H3,13,16,19)
InChIKeySQWSVVQIUYNOSU-UHFFFAOYSA-N
MW274.32 g/mol
LogP-1.08
Rot. Bonds8

About 5,7-bis(carbamoylamino)heptan-3-ylurea

5,7-bis(carbamoylamino)heptan-3-ylurea (PubChem CID 154207016) has the molecular formula C10H22N6O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5,7-bis(carbamoylamino)heptan-3-ylurea.

Molecular Properties

Compound Name5,7-bis(carbamoylamino)heptan-3-ylurea
PubChem CID154207016
Molecular FormulaC10H22N6O3
Molecular Weight274.32 g/mol
Exact Mass274.18
IUPAC Name5,7-bis(carbamoylamino)heptan-3-ylurea
SMILESCCC(CC(CCNC(N)=O)NC(N)=O)NC(N)=O
InChIInChI=1S/C10H22N6O3/c1-2-6(15-9(12)18)5-7(16-10(13)19)3-4-14-8(11)17/h6-7H,2-5H2,1H3,(H3,11,14,17)(H3,12,15,18)(H3,13,16,19)
InChIKeySQWSVVQIUYNOSU-UHFFFAOYSA-N
XLogP-1.08
TPSA165.36 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(carbamoylamino)heptan-3-ylurea?
The IUPAC name of 5,7-bis(carbamoylamino)heptan-3-ylurea (CID 154207016) is 5,7-bis(carbamoylamino)heptan-3-ylurea.
What is the SMILES notation for 5,7-bis(carbamoylamino)heptan-3-ylurea?
The canonical SMILES for 5,7-bis(carbamoylamino)heptan-3-ylurea is CCC(CC(CCNC(N)=O)NC(N)=O)NC(N)=O.
What is the InChIKey of 5,7-bis(carbamoylamino)heptan-3-ylurea?
The InChIKey is SQWSVVQIUYNOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6O3/c1-2-6(15-9(12)18)5-7(16-10(13)19)3-4-14-8(11)17/h6-7H,2-5H2,1H3,(H3,11,14,17)(H3,12,15,18)(H3,13,16,19).
What are the key properties of 5,7-bis(carbamoylamino)heptan-3-ylurea?
5,7-bis(carbamoylamino)heptan-3-ylurea has a molecular weight of 274.32 g/mol, XLogP of -1.08, 8 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(carbamoylamino)heptan-3-ylurea is sourced from PubChem (CID 154207016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).