N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide

C14H17N3O — CID 110769236

IUPACN-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2cc[nH]c2)cc1
InChIInChI=1S/C14H17N3O/c1-17(2)13-5-3-12(4-6-13)16-14(18)9-11-7-8-15-10-11/h3-8,10,15H,9H2,1-2H3,(H,16,18)
InChIKeyKUARARONRQCHNU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 110769236) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
PubChem CID110769236
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2cc[nH]c2)cc1
InChIInChI=1S/C14H17N3O/c1-17(2)13-5-3-12(4-6-13)16-14(18)9-11-7-8-15-10-11/h3-8,10,15H,9H2,1-2H3,(H,16,18)
InChIKeyKUARARONRQCHNU-UHFFFAOYSA-N
XLogP2.26
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N-(3,4-dimethoxyphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769222
N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769211
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide (CID 110769236) is N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide is CN(C)c1ccc(NC(=O)Cc2cc[nH]c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is KUARARONRQCHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(2)13-5-3-12(4-6-13)16-14(18)9-11-7-8-15-10-11/h3-8,10,15H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110769236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).