3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide

C17H23N3O — CID 66413497

IUPAC3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCCn1cccc1CNc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H23N3O/c1-4-20-10-6-9-16(20)12-18-15-8-5-7-14(11-15)17(21)19-13(2)3/h5-11,13,18H,4,12H2,1-3H3,(H,19,21)
InChIKeySACNEWQNEZJMFA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.26
Rot. Bonds6

About 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide

3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide (PubChem CID 66413497) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
PubChem CID66413497
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCCn1cccc1CNc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H23N3O/c1-4-20-10-6-9-16(20)12-18-15-8-5-7-14(11-15)17(21)19-13(2)3/h5-11,13,18H,4,12H2,1-3H3,(H,19,21)
InChIKeySACNEWQNEZJMFA-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412863
methyl 3-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66411900
N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
CID 62329239
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
methyl 3-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66133977
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
CID 43693975
tert-butyl N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 107240502

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide (CID 66413497) is 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide is CCn1cccc1CNc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide?
The InChIKey is SACNEWQNEZJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20-10-6-9-16(20)12-18-15-8-5-7-14(11-15)17(21)19-13(2)3/h5-11,13,18H,4,12H2,1-3H3,(H,19,21).
What are the key properties of 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide?
3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide has a molecular weight of 285.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrol-2-yl)methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 66413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).