N-(butan-2-ylcarbamoyl)formamide

C6H12N2O2 — CID 143601930

IUPACN-(butan-2-ylcarbamoyl)formamide
SMILESCCC(C)NC(=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-3-5(2)8-6(10)7-4-9/h4-5H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyDOIWYWVWFFUKGX-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.24
Rot. Bonds3

About N-(butan-2-ylcarbamoyl)formamide

N-(butan-2-ylcarbamoyl)formamide (PubChem CID 143601930) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(butan-2-ylcarbamoyl)formamide.

Molecular Properties

Compound NameN-(butan-2-ylcarbamoyl)formamide
PubChem CID143601930
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(butan-2-ylcarbamoyl)formamide
SMILESCCC(C)NC(=O)NC=O
InChIInChI=1S/C6H12N2O2/c1-3-5(2)8-6(10)7-4-9/h4-5H,3H2,1-2H3,(H2,7,8,9,10)
InChIKeyDOIWYWVWFFUKGX-UHFFFAOYSA-N
XLogP0.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-ylcarbamoyl iodide
CID 118554163
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-butan-2-yl-3-(methoxymethyl)urea
CID 110675891
1-[(2R)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 2276888
N-[(2S)-butan-2-yl]formamide
CID 55285287
(2S,3S)-2-(butan-2-ylcarbamoylamino)-3-methylpentanoic acid
CID 61188822
(2S,3R)-2-(butan-2-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 104965693
N-[[(2R)-butan-2-yl]carbamoyl]-2,2,2-trifluoroacetamide
CID 163138483
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylcarbamoyl)formamide?
The IUPAC name of N-(butan-2-ylcarbamoyl)formamide (CID 143601930) is N-(butan-2-ylcarbamoyl)formamide.
What is the SMILES notation for N-(butan-2-ylcarbamoyl)formamide?
The canonical SMILES for N-(butan-2-ylcarbamoyl)formamide is CCC(C)NC(=O)NC=O.
What is the InChIKey of N-(butan-2-ylcarbamoyl)formamide?
The InChIKey is DOIWYWVWFFUKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5(2)8-6(10)7-4-9/h4-5H,3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of N-(butan-2-ylcarbamoyl)formamide?
N-(butan-2-ylcarbamoyl)formamide has a molecular weight of 144.17 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylcarbamoyl)formamide is sourced from PubChem (CID 143601930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).