2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide

C24H38N4O3 — CID 143537765

IUPAC2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
SMILESCC1CC(C)N(C(=O)C(NC(=O)CN)C(C)C)C1.O=CNC1CCCc2ccccc21
InChIInChI=1S/C13H25N3O2.C11H13NO/c1-8(2)12(15-11(17)6-14)13(18)16-7-9(3)5-10(16)4;13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h8-10,12H,5-7,14H2,1-4H3,(H,15,17);1-2,4,6,8,11H,3,5,7H2,(H,12,13)
InChIKeySDBWMBWSOHTELM-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.15
Rot. Bonds6

About 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide

2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide (PubChem CID 143537765) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
PubChem CID143537765
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
SMILESCC1CC(C)N(C(=O)C(NC(=O)CN)C(C)C)C1.O=CNC1CCCc2ccccc21
InChIInChI=1S/C13H25N3O2.C11H13NO/c1-8(2)12(15-11(17)6-14)13(18)16-7-9(3)5-10(16)4;13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h8-10,12H,5-7,14H2,1-4H3,(H,15,17);1-2,4,6,8,11H,3,5,7H2,(H,12,13)
InChIKeySDBWMBWSOHTELM-UHFFFAOYSA-N
XLogP2.15
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-amino-2-methylpyrrolidine-1-carboxylate;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
CID 145496732
tert-butyl N-[2-[[1-(4-amino-2-methylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-N-methylcarbamate;sulfanol;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide
CID 143537833
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]formamide
CID 45098245
benzyl N-[(2S)-3-methyl-1-oxo-1-[(4R)-4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-1,3-thiazolidin-3-yl]butan-2-yl]carbamate
CID 59415581
2-amino-N-propan-2-ylacetamide;ethane;pyrrolidine-1-carbaldehyde;1,2,3,4-tetrahydronaphthalen-1-amine
CID 143447869
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848150
(2S,4S)-4-methyl-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-4-phenylbutanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 70851996
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-1,3-dihydroisoindol-2-yl]butan-2-yl]carbamate
CID 59415601
(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-(2-methylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 70975380
[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-(2-phenylethyl)piperazin-2-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
CID 68803538
(4S)-3-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-4-carboxamide
CID 11502879
(2S)-1-[(2S)-3-methyl-2-(2-methylpropanoylamino)butanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-2-carboxamide
CID 173139030

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
The IUPAC name of 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide (CID 143537765) is 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide is CC1CC(C)N(C(=O)C(NC(=O)CN)C(C)C)C1.O=CNC1CCCc2ccccc21.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
The InChIKey is SDBWMBWSOHTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.C11H13NO/c1-8(2)12(15-11(17)6-14)13(18)16-7-9(3)5-10(16)4;13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h8-10,12H,5-7,14H2,1-4H3,(H,15,17);1-2,4,6,8,11H,3,5,7H2,(H,12,13).
What are the key properties of 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide?
2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide has a molecular weight of 430.59 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,4-dimethylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;N-(1,2,3,4-tetrahydronaphthalen-1-yl)formamide is sourced from PubChem (CID 143537765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).