4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide

C16H20N2O2 — CID 60934712

IUPAC4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(CNc2ccc(C(=O)NC(C)C)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-11(2)18-16(19)13-5-7-14(8-6-13)17-10-15-9-4-12(3)20-15/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyPDDDMYUVYXPINA-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.34
Rot. Bonds5

About 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide

4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide (PubChem CID 60934712) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
PubChem CID60934712
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(CNc2ccc(C(=O)NC(C)C)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-11(2)18-16(19)13-5-7-14(8-6-13)17-10-15-9-4-12(3)20-15/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyPDDDMYUVYXPINA-UHFFFAOYSA-N
XLogP3.34
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60934971
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453
2-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400024
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
3-[(5-iodofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 43783342
3-[(5-chlorofuran-2-yl)methylamino]-N-propan-2-ylbenzamide
CID 60780285
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062
4-amino-5-N-[(5-methylfuran-2-yl)methyl]-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
CID 52905863

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide (CID 60934712) is 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide is Cc1ccc(CNc2ccc(C(=O)NC(C)C)cc2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
The InChIKey is PDDDMYUVYXPINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)18-16(19)13-5-7-14(8-6-13)17-10-15-9-4-12(3)20-15/h4-9,11,17H,10H2,1-3H3,(H,18,19).
What are the key properties of 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide?
4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide has a molecular weight of 272.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 60934712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).