N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide

C16H28N6O2 — CID 125441446

IUPACN-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESCCCn1ncnc1[C@@H](C)NC(=O)NC1(C(=O)NC)CCCCC1
InChIInChI=1S/C16H28N6O2/c1-4-10-22-13(18-11-19-22)12(2)20-15(24)21-16(14(23)17-3)8-6-5-7-9-16/h11-12H,4-10H2,1-3H3,(H,17,23)(H2,20,21,24)/t12-/m1/s1
InChIKeyBLKQYIUZLSVSDK-GFCCVEGCSA-N
MW336.44 g/mol
LogP1.50
Rot. Bonds6

About N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide

N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide (PubChem CID 125441446) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide
PubChem CID125441446
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC NameN-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide
SMILESCCCn1ncnc1[C@@H](C)NC(=O)NC1(C(=O)NC)CCCCC1
InChIInChI=1S/C16H28N6O2/c1-4-10-22-13(18-11-19-22)12(2)20-15(24)21-16(14(23)17-3)8-6-5-7-9-16/h11-12H,4-10H2,1-3H3,(H,17,23)(H2,20,21,24)/t12-/m1/s1
InChIKeyBLKQYIUZLSVSDK-GFCCVEGCSA-N
XLogP1.50
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide (CID 125441446) is N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide is CCCn1ncnc1[C@@H](C)NC(=O)NC1(C(=O)NC)CCCCC1.
What is the InChIKey of N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is BLKQYIUZLSVSDK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-4-10-22-13(18-11-19-22)12(2)20-15(24)21-16(14(23)17-3)8-6-5-7-9-16/h11-12H,4-10H2,1-3H3,(H,17,23)(H2,20,21,24)/t12-/m1/s1.
What are the key properties of N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide?
N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 125441446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).