2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide

C10H22N4O2 — CID 83113955

IUPAC2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCCNC(N)=O
InChIInChI=1S/C10H22N4O2/c1-7(2)8(3)14-9(15)6-12-4-5-13-10(11)16/h7-8,12H,4-6H2,1-3H3,(H,14,15)(H3,11,13,16)
InChIKeyHOWRIJDFOMEMRH-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.60
Rot. Bonds7

About 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide

2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 83113955) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID83113955
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CNCCNC(N)=O
InChIInChI=1S/C10H22N4O2/c1-7(2)8(3)14-9(15)6-12-4-5-13-10(11)16/h7-8,12H,4-6H2,1-3H3,(H,14,15)(H3,11,13,16)
InChIKeyHOWRIJDFOMEMRH-UHFFFAOYSA-N
XLogP-0.60
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxybutylamino)-N-(3-methylbutan-2-yl)acetamide
CID 106841692
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60695644
2-(2-ethoxyethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489218
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
CID 60691411
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60687550
N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 60687185
2-(2,3-dihydroxypropylamino)-N-(3-methylbutan-2-yl)acetamide
CID 66171224
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
2-(2-imidazol-1-ylethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 60695215
N-(3-methylbutan-2-yl)-2-(2-phenylsulfanylethylamino)acetamide
CID 60698063
1-[2-(carbamoylamino)ethyl]-3-propan-2-ylurea
CID 116657505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide (CID 83113955) is 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CNCCNC(N)=O.
What is the InChIKey of 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is HOWRIJDFOMEMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-7(2)8(3)14-9(15)6-12-4-5-13-10(11)16/h7-8,12H,4-6H2,1-3H3,(H,14,15)(H3,11,13,16).
What are the key properties of 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)ethylamino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 83113955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).