N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide

C18H29N3O3 — CID 166372205

IUPACN-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide
SMILESCCOC(CC)C(=O)NC1(C)CCN(C(=O)CC2(C#N)CCC2)C1
InChIInChI=1S/C18H29N3O3/c1-4-14(24-5-2)16(23)20-17(3)9-10-21(13-17)15(22)11-18(12-19)7-6-8-18/h14H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyXQNZFEHOADXGSA-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.99
Rot. Bonds7

About N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide

N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide (PubChem CID 166372205) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide.

Molecular Properties

Compound NameN-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide
PubChem CID166372205
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide
SMILESCCOC(CC)C(=O)NC1(C)CCN(C(=O)CC2(C#N)CCC2)C1
InChIInChI=1S/C18H29N3O3/c1-4-14(24-5-2)16(23)20-17(3)9-10-21(13-17)15(22)11-18(12-19)7-6-8-18/h14H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyXQNZFEHOADXGSA-UHFFFAOYSA-N
XLogP1.99
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]cyclohexane-1-carbonitrile
CID 146107630
2-ethoxy-N-[3-methyl-1-(5-propyl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]propanamide
CID 166350503
4-ethoxy-1-(3-methylpentanoyl)piperidine-4-carbonitrile
CID 114284190
4-cyano-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 118238467
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 103356013
tert-butyl 3-(bromomethyl)-3-cyanopiperidine-1-carboxylate
CID 130067972
1-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
CID 154797698
ethyl 3,3-dimethyl-2-[(1-methylcyclobutyl)carbamoyl]butanoate
CID 116538310
(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide
CID 95161190
tert-butyl 3-cyano-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate
CID 130577874
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide?
The IUPAC name of N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide (CID 166372205) is N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide.
What is the SMILES notation for N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide?
The canonical SMILES for N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide is CCOC(CC)C(=O)NC1(C)CCN(C(=O)CC2(C#N)CCC2)C1.
What is the InChIKey of N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide?
The InChIKey is XQNZFEHOADXGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-14(24-5-2)16(23)20-17(3)9-10-21(13-17)15(22)11-18(12-19)7-6-8-18/h14H,4-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide?
N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide has a molecular weight of 335.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-cyanocyclobutyl)acetyl]-3-methylpyrrolidin-3-yl]-2-ethoxybutanamide is sourced from PubChem (CID 166372205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).