2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide

C13H26N2O — CID 114546344

IUPAC2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide
SMILESCCC(C)NCC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-5-10(2)14-9-12(16)15-11-6-7-13(3,4)8-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyWNBSAGKFMFOBKQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide

2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide (PubChem CID 114546344) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide
PubChem CID114546344
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide
SMILESCCC(C)NCC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-5-10(2)14-9-12(16)15-11-6-7-13(3,4)8-11/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyWNBSAGKFMFOBKQ-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N'-(3-methylbutyl)ethanediamide
CID 2291046
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
N'-[(2S)-butan-2-yl]-N-(2-cyclopentylethyl)oxamide
CID 7326757
2-[(1-methylcyclopentyl)methylcarbamoylamino]-N-(2-methylpropyl)acetamide
CID 56784397
N-cyclopentyl-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 78809330
2-[(2,2-dimethylcyclopentyl)amino]-N-methyl-N-propan-2-ylpropanamide
CID 102562972
N-(cyclopropylmethyl)-2-[(2-ethyl-2-methylcyclopentyl)amino]acetamide
CID 126835314
2-[(1-methylcyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55260054
2-[(2-methylcyclopentyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63277964
2-(1-cyclopentylethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64112471
N-[(1-methylcyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958254

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide (CID 114546344) is 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide is CCC(C)NCC(=O)NC1CCC(C)(C)C1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide?
The InChIKey is WNBSAGKFMFOBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-10(2)14-9-12(16)15-11-6-7-13(3,4)8-11/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide?
2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(3,3-dimethylcyclopentyl)acetamide is sourced from PubChem (CID 114546344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).