N-carbamoyl-3-methyl-2-propan-2-ylbutanamide

C9H18N2O2 — CID 24740768

IUPACN-carbamoyl-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5(2)7(6(3)4)8(12)11-9(10)13/h5-7H,1-4H3,(H3,10,11,12,13)
InChIKeyWLVMUPVVXGILRE-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.11
Rot. Bonds3

About N-carbamoyl-3-methyl-2-propan-2-ylbutanamide

N-carbamoyl-3-methyl-2-propan-2-ylbutanamide (PubChem CID 24740768) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-carbamoyl-3-methyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-3-methyl-2-propan-2-ylbutanamide
PubChem CID24740768
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-carbamoyl-3-methyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NC(N)=O)C(C)C
InChIInChI=1S/C9H18N2O2/c1-5(2)7(6(3)4)8(12)11-9(10)13/h5-7H,1-4H3,(H3,10,11,12,13)
InChIKeyWLVMUPVVXGILRE-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Capuride
CID 231285
N-(2-propylpentanoyl)urea
CID 80191
N-(Aminocarbonyl)-2-ethylbutanamide
CID 16768
1-(2-Ethylhexanoyl)urea
CID 225255
2-Isopropylpentanoyl urea
CID 24740769
2,2,3,3-Tetramethylcyclopropanecarbonylurea
CID 10176413
(2S)-N-carbamoyl-2-propan-2-ylpentanamide
CID 24180599
(2R)-N-carbamoyl-2-propan-2-ylpentanamide
CID 24740662
(3-Methylbutyryl)urea
CID 568317
N-(Carbamoylcarbamoyl)-2-ethyl-butanamide
CID 339458
1-(2-Methylbutyryl)urea
CID 3032145
Butanamide, 2-ethyl-N-[[[(methylamino)carbonyl]amino]carbonyl]-
CID 567308

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-methyl-2-propan-2-ylbutanamide?
The IUPAC name of N-carbamoyl-3-methyl-2-propan-2-ylbutanamide (CID 24740768) is N-carbamoyl-3-methyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-carbamoyl-3-methyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-carbamoyl-3-methyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NC(N)=O)C(C)C.
What is the InChIKey of N-carbamoyl-3-methyl-2-propan-2-ylbutanamide?
The InChIKey is WLVMUPVVXGILRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-5(2)7(6(3)4)8(12)11-9(10)13/h5-7H,1-4H3,(H3,10,11,12,13).
What are the key properties of N-carbamoyl-3-methyl-2-propan-2-ylbutanamide?
N-carbamoyl-3-methyl-2-propan-2-ylbutanamide has a molecular weight of 186.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-methyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 24740768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).