3-(butylcarbamoylamino)-3-methylbutanamide

C10H21N3O2 — CID 106096139

IUPAC3-(butylcarbamoylamino)-3-methylbutanamide
SMILESCCCCNC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-4-5-6-12-9(15)13-10(2,3)7-8(11)14/h4-7H2,1-3H3,(H2,11,14)(H2,12,13,15)
InChIKeyDOMMCCKGHMOKLP-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.74
Rot. Bonds6

About 3-(butylcarbamoylamino)-3-methylbutanamide

3-(butylcarbamoylamino)-3-methylbutanamide (PubChem CID 106096139) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(butylcarbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(butylcarbamoylamino)-3-methylbutanamide
PubChem CID106096139
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(butylcarbamoylamino)-3-methylbutanamide
SMILESCCCCNC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-4-5-6-12-9(15)13-10(2,3)7-8(11)14/h4-7H2,1-3H3,(H2,11,14)(H2,12,13,15)
InChIKeyDOMMCCKGHMOKLP-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
2-(butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793296
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 106097791
1-butyl-3-(3-ethylpentan-3-yl)urea
CID 115660913
1-tert-butyl-3-hexylurea
CID 115571487
1-butyl-3-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]urea
CID 71398266
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
3-[[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]methyl]pentanoic acid
CID 106097804
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164

Frequently Asked Questions

What is the IUPAC name of 3-(butylcarbamoylamino)-3-methylbutanamide?
The IUPAC name of 3-(butylcarbamoylamino)-3-methylbutanamide (CID 106096139) is 3-(butylcarbamoylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(butylcarbamoylamino)-3-methylbutanamide?
The canonical SMILES for 3-(butylcarbamoylamino)-3-methylbutanamide is CCCCNC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-(butylcarbamoylamino)-3-methylbutanamide?
The InChIKey is DOMMCCKGHMOKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-5-6-12-9(15)13-10(2,3)7-8(11)14/h4-7H2,1-3H3,(H2,11,14)(H2,12,13,15).
What are the key properties of 3-(butylcarbamoylamino)-3-methylbutanamide?
3-(butylcarbamoylamino)-3-methylbutanamide has a molecular weight of 215.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylcarbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 106096139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).