N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide

C12H20N2O2 — CID 104553472

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H20N2O2/c1-4-7-14-8-5-6-11(14)12(16)13(3)10(2)9-15/h5-6,8,10,15H,4,7,9H2,1-3H3
InChIKeyACZNXYMTHYWNSE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.35
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 104553472) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID104553472
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H20N2O2/c1-4-7-14-8-5-6-11(14)12(16)13(3)10(2)9-15/h5-6,8,10,15H,4,7,9H2,1-3H3
InChIKeyACZNXYMTHYWNSE-UHFFFAOYSA-N
XLogP1.35
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 115765031
N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 115317425
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61044229
N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 82505454
N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-methylamino]butanoic acid
CID 114608775
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 64512371
N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 104593851
2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide (CID 104553472) is N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is ACZNXYMTHYWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-7-14-8-5-6-11(14)12(16)13(3)10(2)9-15/h5-6,8,10,15H,4,7,9H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 104553472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).