1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea

C7H16N4O2 — CID 116657505

IUPAC1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCNC(N)=O
InChIInChI=1S/C7H16N4O2/c1-5(2)11-7(13)10-4-3-9-6(8)12/h5H,3-4H2,1-2H3,(H3,8,9,12)(H2,10,11,13)
InChIKeyWGFRSKXJERFNMH-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.64
Rot. Bonds4

About 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea

1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea (PubChem CID 116657505) has the molecular formula C7H16N4O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
PubChem CID116657505
Molecular FormulaC7H16N4O2
Molecular Weight188.23 g/mol
Exact Mass188.13
IUPAC Name1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCNC(N)=O
InChIInChI=1S/C7H16N4O2/c1-5(2)11-7(13)10-4-3-9-6(8)12/h5H,3-4H2,1-2H3,(H3,8,9,12)(H2,10,11,13)
InChIKeyWGFRSKXJERFNMH-UHFFFAOYSA-N
XLogP-0.64
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-methylpentanoic acid
CID 83112549
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
1-(4-hydroxybutyl)-3-propan-2-ylurea
CID 106843864
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]butanedioic acid
CID 83114385
1-hexyl-3-propan-2-ylurea
CID 23264656
1-(2-cyanoethyl)-3-propan-2-ylurea
CID 60971212
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea (CID 116657505) is 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCNC(N)=O.
What is the InChIKey of 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea?
The InChIKey is WGFRSKXJERFNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O2/c1-5(2)11-7(13)10-4-3-9-6(8)12/h5H,3-4H2,1-2H3,(H3,8,9,12)(H2,10,11,13).
What are the key properties of 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea?
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea has a molecular weight of 188.23 g/mol, XLogP of -0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 116657505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).