N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide

C15H19N3O — CID 66409827

IUPACN,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-18(2)15(19)9-12-3-5-14(6-4-12)17-11-13-7-8-16-10-13/h3-8,10,16-17H,9,11H2,1-2H3
InChIKeyZGMCJYNRZFNJBV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.26
Rot. Bonds5

About N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide

N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide (PubChem CID 66409827) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
PubChem CID66409827
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H19N3O/c1-18(2)15(19)9-12-3-5-14(6-4-12)17-11-13-7-8-16-10-13/h3-8,10,16-17H,9,11H2,1-2H3
InChIKeyZGMCJYNRZFNJBV-UHFFFAOYSA-N
XLogP2.26
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-(1H-pyrrol-3-ylmethylamino)phenyl]propanamide
CID 66408507
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
1-methyl-3-[4-(1H-pyrrol-3-ylmethylamino)phenyl]urea
CID 66407217
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720767
N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115682439
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 66410759
2-[4-[(5-bromofuran-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720757
N,N-dimethyl-2-[4-[(3-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 115652552
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
N-[4-(dimethylamino)phenyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769236
N,N-dimethyl-2-[4-[(4-methyl-1,3-thiazol-2-yl)methylamino]phenyl]acetamide
CID 115633702

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide (CID 66409827) is N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide is CN(C)C(=O)Cc1ccc(NCc2cc[nH]c2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide?
The InChIKey is ZGMCJYNRZFNJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)15(19)9-12-3-5-14(6-4-12)17-11-13-7-8-16-10-13/h3-8,10,16-17H,9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide?
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 66409827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).