N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide

C14H16N2O — CID 162083662

IUPACN-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cn2cccc2)cc1
InChIInChI=1S/C14H16N2O/c1-12(17)15-10-13-4-6-14(7-5-13)11-16-8-2-3-9-16/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyIJJPBEZPFARPRT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.17
Rot. Bonds4

About N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide

N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 162083662) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID162083662
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cn2cccc2)cc1
InChIInChI=1S/C14H16N2O/c1-12(17)15-10-13-4-6-14(7-5-13)11-16-8-2-3-9-16/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyIJJPBEZPFARPRT-UHFFFAOYSA-N
XLogP2.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(acetamidomethyl)benzoyl chloride
CID 13131539
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
4-(pyrrol-1-ylmethyl)benzamide
CID 63371533
N-benzylacetamide;toluene
CID 175498463
N-benzylacetamide;ethanamine
CID 22257034
4-(acetamidomethyl)benzoate
CID 4573914
N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 11702585
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide (CID 162083662) is N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(Cn2cccc2)cc1.
What is the InChIKey of N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is IJJPBEZPFARPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-12(17)15-10-13-4-6-14(7-5-13)11-16-8-2-3-9-16/h2-9H,10-11H2,1H3,(H,15,17).
What are the key properties of N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide?
N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrrol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 162083662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).