N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide

C12H22N2O2 — CID 103743813

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
SMILESCOC1CC(NC(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-12(2)9(8-10(12)16-3)13-11(15)14-6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyRVWWJNUFQDNPFI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds2

About N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide

N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide (PubChem CID 103743813) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
PubChem CID103743813
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
SMILESCOC1CC(NC(=O)N2CCCC2)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-12(2)9(8-10(12)16-3)13-11(15)14-6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyRVWWJNUFQDNPFI-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
CID 130677750
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
N-(2,2-dimethylcyclopropyl)piperidine-1-carboxamide
CID 115590465
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
CID 103742031
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114118830
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)-1-methylurea
CID 103743870
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-morpholin-4-ylethanone
CID 114119064
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103742148
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
2-(4-aminophenyl)-N-(3-methoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812779

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide (CID 103743813) is N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide is COC1CC(NC(=O)N2CCCC2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide?
The InChIKey is RVWWJNUFQDNPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)9(8-10(12)16-3)13-11(15)14-6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide?
N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 103743813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).