acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane

C21H37N3O3 — CID 162681991

IUPACacetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane
SMILESCC.CC=O.CCC1CCCC1C(C)C(=O)NC(C#N)CC1CCNC1=O
InChIInChI=1S/C17H27N3O2.C2H4O.C2H6/c1-3-12-5-4-6-15(12)11(2)16(21)20-14(10-18)9-13-7-8-19-17(13)22;1-2-3;1-2/h11-15H,3-9H2,1-2H3,(H,19,22)(H,20,21);2H,1H3;1-2H3
InChIKeyYPHOJUGBSINLOB-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.21
Rot. Bonds6

About acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane

acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane (PubChem CID 162681991) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane.

Molecular Properties

Compound Nameacetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane
PubChem CID162681991
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Nameacetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane
SMILESCC.CC=O.CCC1CCCC1C(C)C(=O)NC(C#N)CC1CCNC1=O
InChIInChI=1S/C17H27N3O2.C2H4O.C2H6/c1-3-12-5-4-6-15(12)11(2)16(21)20-14(10-18)9-13-7-8-19-17(13)22;1-2-3;1-2/h11-15H,3-9H2,1-2H3,(H,19,22)(H,20,21);2H,1H3;1-2H3
InChIKeyYPHOJUGBSINLOB-UHFFFAOYSA-N
XLogP3.21
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 175458558
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
CID 167482163
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3,3-dimethyl-2-(methylamino)butanamide
CID 166975891
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 162396392
N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-(cyclohexylmethylamino)acetamide;2-methylpropane
CID 164544295
(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide
CID 165022688
(E)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-methylpropyl)-4-oxo-6-phenylhex-5-enamide
CID 159188016
(2S)-N-[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methyl-2-(naphthalen-2-ylsulfonylamino)pentanamide
CID 175871114
(4,4-difluorocyclohexyl)methyl N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 163558365
6-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 163283339
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 166156948
2-[(4-amino-3-chloro-2-methyliminopent-3-enoyl)amino]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4-methylpentanamide
CID 174046535

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane?
The IUPAC name of acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane (CID 162681991) is acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane.
What is the SMILES notation for acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane?
The canonical SMILES for acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane is CC.CC=O.CCC1CCCC1C(C)C(=O)NC(C#N)CC1CCNC1=O.
What is the InChIKey of acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane?
The InChIKey is YPHOJUGBSINLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.C2H4O.C2H6/c1-3-12-5-4-6-15(12)11(2)16(21)20-14(10-18)9-13-7-8-19-17(13)22;1-2-3;1-2/h11-15H,3-9H2,1-2H3,(H,19,22)(H,20,21);2H,1H3;1-2H3.
What are the key properties of acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane?
acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane has a molecular weight of 379.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(2-ethylcyclopentyl)propanamide;ethane is sourced from PubChem (CID 162681991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).