N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide

C17H23N3O — CID 66411550

IUPACN,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
SMILESCCCn1cccc1CNc1cccc(C(=O)NC)c1C
InChIInChI=1S/C17H23N3O/c1-4-10-20-11-6-7-14(20)12-19-16-9-5-8-15(13(16)2)17(21)18-3/h5-9,11,19H,4,10,12H2,1-3H3,(H,18,21)
InChIKeyLXVNSTBSWLJNHY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.18
Rot. Bonds6

About N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide

N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide (PubChem CID 66411550) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
PubChem CID66411550
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
SMILESCCCn1cccc1CNc1cccc(C(=O)NC)c1C
InChIInChI=1S/C17H23N3O/c1-4-10-20-11-6-7-14(20)12-19-16-9-5-8-15(13(16)2)17(21)18-3/h5-9,11,19H,4,10,12H2,1-3H3,(H,18,21)
InChIKeyLXVNSTBSWLJNHY-UHFFFAOYSA-N
XLogP3.18
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131145
ethyl 2-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66412680
methyl 3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylbenzoate
CID 66411733
N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412863
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]benzoic acid
CID 17058216
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
1-methyl-3-[4-[(1-propylpyrrol-2-yl)methylamino]phenyl]urea
CID 66412531
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide (CID 66411550) is N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide is CCCn1cccc1CNc1cccc(C(=O)NC)c1C.
What is the InChIKey of N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
The InChIKey is LXVNSTBSWLJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-10-20-11-6-7-14(20)12-19-16-9-5-8-15(13(16)2)17(21)18-3/h5-9,11,19H,4,10,12H2,1-3H3,(H,18,21).
What are the key properties of N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide?
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide has a molecular weight of 285.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide is sourced from PubChem (CID 66411550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).