2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide

C16H21N3O — CID 66411921

IUPAC2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCCn1cccc1CNc1ccccc1CC(=O)NC
InChIInChI=1S/C16H21N3O/c1-3-19-10-6-8-14(19)12-18-15-9-5-4-7-13(15)11-16(20)17-2/h4-10,18H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyQNJFQFORIPPAAF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.41
Rot. Bonds6

About 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide

2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 66411921) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID66411921
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCCn1cccc1CNc1ccccc1CC(=O)NC
InChIInChI=1S/C16H21N3O/c1-3-19-10-6-8-14(19)12-18-15-9-5-4-7-13(15)11-16(20)17-2/h4-10,18H,3,11-12H2,1-2H3,(H,17,20)
InChIKeyQNJFQFORIPPAAF-UHFFFAOYSA-N
XLogP2.41
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
N-[(1-ethylpyrrol-2-yl)methyl]-2-iodoaniline
CID 66413670
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
methyl 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylbenzoate
CID 66411733
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 61319910
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
2-[2-(methanesulfonamido)phenyl]-N-methylacetamide
CID 61061403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide (CID 66411921) is 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide is CCn1cccc1CNc1ccccc1CC(=O)NC.
What is the InChIKey of 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is QNJFQFORIPPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19-10-6-8-14(19)12-18-15-9-5-4-7-13(15)11-16(20)17-2/h4-10,18H,3,11-12H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide?
2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 66411921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).