N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide

C21H29N5O — CID 167775927

IUPACN-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCCC2(N)CC2)C1c1nccn1Cc1ccccc1
InChIInChI=1S/C21H29N5O/c1-20(2)15-26(19(27)24-11-10-21(22)8-9-21)17(20)18-23-12-13-25(18)14-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14-15,22H2,1-2H3,(H,24,27)
InChIKeyTXEGFRZXDCZHSJ-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide

N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide (PubChem CID 167775927) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide
PubChem CID167775927
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide
SMILESCC1(C)CN(C(=O)NCCC2(N)CC2)C1c1nccn1Cc1ccccc1
InChIInChI=1S/C21H29N5O/c1-20(2)15-26(19(27)24-11-10-21(22)8-9-21)17(20)18-23-12-13-25(18)14-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14-15,22H2,1-2H3,(H,24,27)
InChIKeyTXEGFRZXDCZHSJ-UHFFFAOYSA-N
XLogP2.91
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide?
The IUPAC name of N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide (CID 167775927) is N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide?
The canonical SMILES for N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide is CC1(C)CN(C(=O)NCCC2(N)CC2)C1c1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide?
The InChIKey is TXEGFRZXDCZHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-20(2)15-26(19(27)24-11-10-21(22)8-9-21)17(20)18-23-12-13-25(18)14-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14-15,22H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide?
N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminocyclopropyl)ethyl]-2-(1-benzylimidazol-2-yl)-3,3-dimethylazetidine-1-carboxamide is sourced from PubChem (CID 167775927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).