N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide

C18H30N4O4 — CID 143354202

IUPACN-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide
SMILESCN(C(=O)CNC(=O)NC(C(=O)N1CCCC1C=O)C(C)(C)C)C1CC1
InChIInChI=1S/C18H30N4O4/c1-18(2,3)15(16(25)22-9-5-6-13(22)11-23)20-17(26)19-10-14(24)21(4)12-7-8-12/h11-13,15H,5-10H2,1-4H3,(H2,19,20,26)
InChIKeyFCIQHVNAAVLPHD-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.51
Rot. Bonds6

About N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide

N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide (PubChem CID 143354202) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide
PubChem CID143354202
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC NameN-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide
SMILESCN(C(=O)CNC(=O)NC(C(=O)N1CCCC1C=O)C(C)(C)C)C1CC1
InChIInChI=1S/C18H30N4O4/c1-18(2,3)15(16(25)22-9-5-6-13(22)11-23)20-17(26)19-10-14(24)21(4)12-7-8-12/h11-13,15H,5-10H2,1-4H3,(H2,19,20,26)
InChIKeyFCIQHVNAAVLPHD-UHFFFAOYSA-N
XLogP0.51
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.51
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

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143362299
N-(4-amino-3,4-dioxobutan-2-yl)-1-[2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methylcyclopropane;propane
CID 143101849
1-[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-(3-methyl-1-oxo-1-phenylbutan-2-yl)urea
CID 143352818
1-[3,3-dimethyl-1-[2-[propan-2-yl(sulfanyl)amino]ethylamino]butan-2-yl]-3-[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]urea
CID 143354824
tert-butyl N-[1-[[1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]piperidin-4-yl]-N-methylcarbamate
CID 142118256
benzyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88871264
(2S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[2-(cyclopropylmethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143360265
1-[2-[[(Z)-2-amino-2-cyclohexylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbaldehyde
CID 171105326
1-[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-3-[1-(pyridin-4-ylmethyl)cyclohexyl]urea
CID 143354092
thiophen-3-ylmethyl 2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-4,4-dimethylpentanoate
CID 143352492
(2S)-N-[3-amino-1-(cyclopropylamino)-2,3-dioxopropyl]-1-[3,3-dimethyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 143359747
N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide;ethane;methanethiol;2-methylpropane
CID 143358295

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide (CID 143354202) is N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide is CN(C(=O)CNC(=O)NC(C(=O)N1CCCC1C=O)C(C)(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide?
The InChIKey is FCIQHVNAAVLPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-18(2,3)15(16(25)22-9-5-6-13(22)11-23)20-17(26)19-10-14(24)21(4)12-7-8-12/h11-13,15H,5-10H2,1-4H3,(H2,19,20,26).
What are the key properties of N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide?
N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide has a molecular weight of 366.46 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[1-(2-formylpyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]-N-methylacetamide is sourced from PubChem (CID 143354202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).