2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide

C17H23N3O — CID 66410759

IUPAC2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCCn1cccc1CNc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-4-20-11-5-6-16(20)13-18-15-9-7-14(8-10-15)12-17(21)19(2)3/h5-11,18H,4,12-13H2,1-3H3
InChIKeyXAIMGZDKBYCQHQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide

2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 66410759) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
PubChem CID66410759
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide
SMILESCCn1cccc1CNc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-4-20-11-5-6-16(20)13-18-15-9-7-14(8-10-15)12-17(21)19(2)3/h5-11,18H,4,12-13H2,1-3H3
InChIKeyXAIMGZDKBYCQHQ-UHFFFAOYSA-N
XLogP2.75
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(1-ethylpyrrol-2-yl)methyl]-4-iodoaniline
CID 66413470
tert-butyl N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 107240502
N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 66411151
N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115682439
2-[4-[(2-bromophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 43720767
N,N-dimethyl-2-[4-(1H-pyrrol-3-ylmethylamino)phenyl]acetamide
CID 66409827
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
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
CID 66411324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide (CID 66410759) is 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide is CCn1cccc1CNc1ccc(CC(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is XAIMGZDKBYCQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20-11-5-6-16(20)13-18-15-9-7-14(8-10-15)12-17(21)19(2)3/h5-11,18H,4,12-13H2,1-3H3.
What are the key properties of 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide?
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 285.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 66410759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).