N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide

C15H18N2O2 — CID 18161077

IUPACN-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCOCC(C)NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O2/c1-12(11-19-2)16-15(18)13-5-7-14(8-6-13)17-9-3-4-10-17/h3-10,12H,11H2,1-2H3,(H,16,18)
InChIKeyZXGVPAPKYUIIGY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide

N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 18161077) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
PubChem CID18161077
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCOCC(C)NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H18N2O2/c1-12(11-19-2)16-15(18)13-5-7-14(8-6-13)17-9-3-4-10-17/h3-10,12H,11H2,1-2H3,(H,16,18)
InChIKeyZXGVPAPKYUIIGY-UHFFFAOYSA-N
XLogP2.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
(2S)-2-cyano-N-[(2R)-1-methoxypropan-2-yl]-3-oxo-3-(4-pyrrol-1-ylphenyl)propanamide
CID 98449834
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-(1-cyano-2-methylpropyl)-4-pyrrol-1-ylbenzamide
CID 82304828
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 126441503
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 60821559

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide (CID 18161077) is N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide is COCC(C)NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is ZXGVPAPKYUIIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12(11-19-2)16-15(18)13-5-7-14(8-6-13)17-9-3-4-10-17/h3-10,12H,11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide?
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 18161077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).