N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide

C15H25N3O2 — CID 129199683

IUPACN-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCC[C@@H](CCC(C)C)C(=O)N(C)C(=O)c1nc[nH]c1C
InChIInChI=1S/C15H25N3O2/c1-6-12(8-7-10(2)3)14(19)18(5)15(20)13-11(4)16-9-17-13/h9-10,12H,6-8H2,1-5H3,(H,16,17)/t12-/m0/s1
InChIKeyYFPFSRPSEAOHGZ-LBPRGKRZSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds6

About N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide

N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide (PubChem CID 129199683) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide
PubChem CID129199683
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCC[C@@H](CCC(C)C)C(=O)N(C)C(=O)c1nc[nH]c1C
InChIInChI=1S/C15H25N3O2/c1-6-12(8-7-10(2)3)14(19)18(5)15(20)13-11(4)16-9-17-13/h9-10,12H,6-8H2,1-5H3,(H,16,17)/t12-/m0/s1
InChIKeyYFPFSRPSEAOHGZ-LBPRGKRZSA-N
XLogP2.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide (CID 129199683) is N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide is CC[C@@H](CCC(C)C)C(=O)N(C)C(=O)c1nc[nH]c1C.
What is the InChIKey of N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The InChIKey is YFPFSRPSEAOHGZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-12(8-7-10(2)3)14(19)18(5)15(20)13-11(4)16-9-17-13/h9-10,12H,6-8H2,1-5H3,(H,16,17)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethyl-5-methylhexanoyl]-N,5-dimethyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129199683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).