N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide

C18H23N3O2 — CID 129487598

IUPACN-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)[nH]1
InChIInChI=1S/C18H23N3O2/c1-12-19-11-14(20-12)17(22)21(4)15-10-16(18(15,2)3)23-13-8-6-5-7-9-13/h5-9,11,15-16H,10H2,1-4H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyGJEYBSPKXBPFIG-CVEARBPZSA-N
MW313.40 g/mol
LogP3.04
Rot. Bonds4

About N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide

N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide (PubChem CID 129487598) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
PubChem CID129487598
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)[nH]1
InChIInChI=1S/C18H23N3O2/c1-12-19-11-14(20-12)17(22)21(4)15-10-16(18(15,2)3)23-13-8-6-5-7-9-13/h5-9,11,15-16H,10H2,1-4H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyGJEYBSPKXBPFIG-CVEARBPZSA-N
XLogP3.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide (CID 129487598) is N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)[nH]1.
What is the InChIKey of N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
The InChIKey is GJEYBSPKXBPFIG-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-19-11-14(20-12)17(22)21(4)15-10-16(18(15,2)3)23-13-8-6-5-7-9-13/h5-9,11,15-16H,10H2,1-4H3,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide?
N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-2,2-dimethyl-3-phenoxycyclobutyl]-N,2-dimethyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 129487598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).