N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide

C16H26N2O2 — CID 103968979

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-10-18-11-6-7-14(18)15(20)17-12-16(13-19)8-4-3-5-9-16/h6-7,11,19H,2-5,8-10,12-13H2,1H3,(H,17,20)
InChIKeyGSAGLTOTSUGHBM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 103968979) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
PubChem CID103968979
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-10-18-11-6-7-14(18)15(20)17-12-16(13-19)8-4-3-5-9-16/h6-7,11,19H,2-5,8-10,12-13H2,1H3,(H,17,20)
InChIKeyGSAGLTOTSUGHBM-UHFFFAOYSA-N
XLogP2.57
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
1-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639039
2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 114109249
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 65119021
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 112748853
1-(2,2-difluoroethyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114757252
N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
CID 113294516
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-propylpyrrole-2-carboxamide
CID 114010730

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide (CID 103968979) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is GSAGLTOTSUGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-10-18-11-6-7-14(18)15(20)17-12-16(13-19)8-4-3-5-9-16/h6-7,11,19H,2-5,8-10,12-13H2,1H3,(H,17,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 103968979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).