N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide

C16H20N2O — CID 42759824

IUPACN-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccn1C)C(=O)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-13(2)18(12-15-10-7-11-17(15)3)16(19)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3
InChIKeyPXUYUCHXUXRSCZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.08
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide

N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 42759824) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID42759824
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cccn1C)C(=O)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-13(2)18(12-15-10-7-11-17(15)3)16(19)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3
InChIKeyPXUYUCHXUXRSCZ-UHFFFAOYSA-N
XLogP3.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759842
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 810032
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]-4-methylbenzamide
CID 7397232
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propan-2-ylbenzamide
CID 1057094
1-[(1-methylpyrrol-2-yl)methyl]-1-propan-2-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 42760075
N-[[(3R,4S)-4-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 92992346
N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 4317444
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propan-2-ylbenzamide
CID 1057025
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 3550888
4-hexyl-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3458486

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide (CID 42759824) is N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1cccn1C)C(=O)c1ccccc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is PXUYUCHXUXRSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(2)18(12-15-10-7-11-17(15)3)16(19)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide?
N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 256.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 42759824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).