N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide

C16H26N2O2 — CID 65119021

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C16H26N2O2/c1-3-10-18-11-4-5-14(18)15(19)17-12-16(20)8-6-13(2)7-9-16/h4-5,11,13,20H,3,6-10,12H2,1-2H3,(H,17,19)
InChIKeyGYTHXFOEYVPKBG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds5

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 65119021) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID65119021
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C16H26N2O2/c1-3-10-18-11-4-5-14(18)15(19)17-12-16(20)8-6-13(2)7-9-16/h4-5,11,13,20H,3,6-10,12H2,1-2H3,(H,17,19)
InChIKeyGYTHXFOEYVPKBG-UHFFFAOYSA-N
XLogP2.57
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide (CID 65119021) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is GYTHXFOEYVPKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-10-18-11-4-5-14(18)15(19)17-12-16(20)8-6-13(2)7-9-16/h4-5,11,13,20H,3,6-10,12H2,1-2H3,(H,17,19).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 65119021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).