5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide

C14H19N3O2 — CID 82946153

IUPAC5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H19N3O2/c1-9(8-17(2)3)16-14(18)13-7-10-6-11(15)4-5-12(10)19-13/h4-7,9H,8,15H2,1-3H3,(H,16,18)
InChIKeyIFYUKWYMXAKIMD-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.69
Rot. Bonds4

About 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide

5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 82946153) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID82946153
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C14H19N3O2/c1-9(8-17(2)3)16-14(18)13-7-10-6-11(15)4-5-12(10)19-13/h4-7,9H,8,15H2,1-3H3,(H,16,18)
InChIKeyIFYUKWYMXAKIMD-UHFFFAOYSA-N
XLogP1.69
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 61469067
5-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 79247714
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
N-[1-(dimethylamino)propan-2-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 74236489
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 61092642
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106281010
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
CID 106021592
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide (CID 82946153) is 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide is CC(CN(C)C)NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is IFYUKWYMXAKIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(8-17(2)3)16-14(18)13-7-10-6-11(15)4-5-12(10)19-13/h4-7,9H,8,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide?
5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(dimethylamino)propan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 82946153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).