3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide

C12H22N2O2 — CID 56820054

IUPAC3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide
SMILESCC(CC(=O)NCC(C)(C)C(N)=O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(9-4-5-9)6-10(15)14-7-12(2,3)11(13)16/h8-9H,4-7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeySCDDRVLQKZXVRD-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.05
Rot. Bonds6

About 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide

3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide (PubChem CID 56820054) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide
PubChem CID56820054
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide
SMILESCC(CC(=O)NCC(C)(C)C(N)=O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-8(9-4-5-9)6-10(15)14-7-12(2,3)11(13)16/h8-9H,4-7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeySCDDRVLQKZXVRD-UHFFFAOYSA-N
XLogP1.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetic acid
CID 106278391
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
CID 103809519
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119737426
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
3-[[2-(1-hydroxycyclohexyl)acetyl]amino]-2,2-dimethylpropanamide
CID 111331912
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide (CID 56820054) is 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide is CC(CC(=O)NCC(C)(C)C(N)=O)C1CC1.
What is the InChIKey of 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide?
The InChIKey is SCDDRVLQKZXVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(9-4-5-9)6-10(15)14-7-12(2,3)11(13)16/h8-9H,4-7H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide?
3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 56820054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).