2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide

C16H21N3O — CID 66415335

IUPAC2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
SMILESCCCn1ccc(CNc2ccc(CC(N)=O)cc2)c1
InChIInChI=1S/C16H21N3O/c1-2-8-19-9-7-14(12-19)11-18-15-5-3-13(4-6-15)10-16(17)20/h3-7,9,12,18H,2,8,10-11H2,1H3,(H2,17,20)
InChIKeyQTTSNXUSJCANLL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.54
Rot. Bonds7

About 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide

2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide (PubChem CID 66415335) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
PubChem CID66415335
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
SMILESCCCn1ccc(CNc2ccc(CC(N)=O)cc2)c1
InChIInChI=1S/C16H21N3O/c1-2-8-19-9-7-14(12-19)11-18-15-5-3-13(4-6-15)10-16(17)20/h3-7,9,12,18H,2,8,10-11H2,1H3,(H2,17,20)
InChIKeyQTTSNXUSJCANLL-UHFFFAOYSA-N
XLogP2.54
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
2-[4-[(4-ethylphenyl)methylamino]phenyl]acetamide
CID 43724073
2-[3-[(1-propylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66414941
4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398402
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 114555266
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
2-[4-[(1-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 55113606
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43786872
2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide (CID 66415335) is 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide is CCCn1ccc(CNc2ccc(CC(N)=O)cc2)c1.
What is the InChIKey of 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide?
The InChIKey is QTTSNXUSJCANLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-8-19-9-7-14(12-19)11-18-15-5-3-13(4-6-15)10-16(17)20/h3-7,9,12,18H,2,8,10-11H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide?
2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 66415335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).