N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C12H22N2O2 — CID 71942014

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-8-7-9(8)11(16)13-6-5-10(15)14-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyWUCNZTZCQFZGAI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.06
Rot. Bonds4

About N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 71942014) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID71942014
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-8-7-9(8)11(16)13-6-5-10(15)14-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyWUCNZTZCQFZGAI-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 62519781
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
3-[tert-butyl-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]amino]propanoic acid
CID 60825898
1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 58055825
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115362728
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-[3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 51103810

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 71942014) is N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WUCNZTZCQFZGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-7-9(8)11(16)13-6-5-10(15)14-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 71942014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).