2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide

C17H22N2O2 — CID 43507889

IUPAC2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
SMILESCCCNC(C)c1cccc(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C17H22N2O2/c1-4-9-18-12(2)14-6-5-7-15(11-14)19-17(20)16-8-10-21-13(16)3/h5-8,10-12,18H,4,9H2,1-3H3,(H,19,20)
InChIKeyGOHOUEZSYYUHTD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.90
Rot. Bonds6

About 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide

2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide (PubChem CID 43507889) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
PubChem CID43507889
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide
SMILESCCCNC(C)c1cccc(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C17H22N2O2/c1-4-9-18-12(2)14-6-5-7-15(11-14)19-17(20)16-8-10-21-13(16)3/h5-8,10-12,18H,4,9H2,1-3H3,(H,19,20)
InChIKeyGOHOUEZSYYUHTD-UHFFFAOYSA-N
XLogP3.90
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507800
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 64557088
N-[3-[1-(ethylamino)ethyl]phenyl]furan-2-carboxamide
CID 43507845
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
N-[3-[1-(ethylamino)ethyl]phenyl]-6-methylpyridine-2-carboxamide
CID 43507835
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61340529
N-[3-[1-(ethylamino)ethyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801384
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide (CID 43507889) is 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide is CCCNC(C)c1cccc(NC(=O)c2ccoc2C)c1.
What is the InChIKey of 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide?
The InChIKey is GOHOUEZSYYUHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-9-18-12(2)14-6-5-7-15(11-14)19-17(20)16-8-10-21-13(16)3/h5-8,10-12,18H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide?
2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(propylamino)ethyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 43507889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).