2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

C17H30N4O2 — CID 135109608

IUPAC2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(CCO)C(=O)C(C)N(C)C2CCCCC2)[nH]1
InChIInChI=1S/C17H30N4O2/c1-13(20(3)16-7-5-4-6-8-16)17(23)21(9-10-22)12-15-11-18-14(2)19-15/h11,13,16,22H,4-10,12H2,1-3H3,(H,18,19)
InChIKeyBHAKPCQGTBOXIM-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.69
Rot. Bonds7

About 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (PubChem CID 135109608) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
PubChem CID135109608
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(CCO)C(=O)C(C)N(C)C2CCCCC2)[nH]1
InChIInChI=1S/C17H30N4O2/c1-13(20(3)16-7-5-4-6-8-16)17(23)21(9-10-22)12-15-11-18-14(2)19-15/h11,13,16,22H,4-10,12H2,1-3H3,(H,18,19)
InChIKeyBHAKPCQGTBOXIM-UHFFFAOYSA-N
XLogP1.69
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide (CID 135109608) is 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is Cc1ncc(CN(CCO)C(=O)C(C)N(C)C2CCCCC2)[nH]1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
The InChIKey is BHAKPCQGTBOXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13(20(3)16-7-5-4-6-8-16)17(23)21(9-10-22)12-15-11-18-14(2)19-15/h11,13,16,22H,4-10,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide?
2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 135109608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).