N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

C18H30N4O2 — CID 22422539

IUPACN-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCc2cnc[nH]2)C(C)C)CC1
InChIInChI=1S/C18H30N4O2/c1-12(2)16(18(24)20-9-8-15-10-19-11-21-15)22-17(23)14-6-4-13(3)5-7-14/h10-14,16H,4-9H2,1-3H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyVQQGEYUGIUOFCN-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.04
Rot. Bonds7

About N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 22422539) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID22422539
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCc2cnc[nH]2)C(C)C)CC1
InChIInChI=1S/C18H30N4O2/c1-12(2)16(18(24)20-9-8-15-10-19-11-21-15)22-17(23)14-6-4-13(3)5-7-14/h10-14,16H,4-9H2,1-3H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyVQQGEYUGIUOFCN-UHFFFAOYSA-N
XLogP2.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 65232143
(1S,3R,4R)-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-3-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 157018626
N-[2-(1H-imidazol-5-yl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64982967
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 15987928
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226
2-carbamothioyl-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 65231137
(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-N-[8-[[(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 122211207
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
CID 114826330
2-(cyclopropanecarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 16771913
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 15296546
4-[[2-(1H-imidazol-5-yl)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529492

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 22422539) is N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)NCCc2cnc[nH]2)C(C)C)CC1.
What is the InChIKey of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is VQQGEYUGIUOFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12(2)16(18(24)20-9-8-15-10-19-11-21-15)22-17(23)14-6-4-13(3)5-7-14/h10-14,16H,4-9H2,1-3H3,(H,19,21)(H,20,24)(H,22,23).
What are the key properties of N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 22422539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).