2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide

C15H28N2O2 — CID 95905898

IUPAC2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
SMILESCC(C)C[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)8-12-6-7-17(10-12)13(18)9-16-14(19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)/t12-/m1/s1
InChIKeyASXZECZZUBFUDZ-GFCCVEGCSA-N
MW268.40 g/mol
LogP2.04
Rot. Bonds4

About 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide (PubChem CID 95905898) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
PubChem CID95905898
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide
SMILESCC(C)C[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)8-12-6-7-17(10-12)13(18)9-16-14(19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)/t12-/m1/s1
InChIKeyASXZECZZUBFUDZ-GFCCVEGCSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 93040618
N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 79403744
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 168862236
(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
tert-butyl N-[2-[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111734082
2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119781918
N-[[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 119779313
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
3-[[ethylamino-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 111734447
2-(2-methoxyethylamino)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 119807853
1-[3-(chloromethyl)pyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 63833340

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide (CID 95905898) is 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide is CC(C)C[C@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
The InChIKey is ASXZECZZUBFUDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)8-12-6-7-17(10-12)13(18)9-16-14(19)15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide has a molecular weight of 268.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 95905898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).