5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide

C17H22N2O2 — CID 106910472

IUPAC5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(CNC(C)C)cc2)o1
InChIInChI=1S/C17H22N2O2/c1-4-15-9-10-16(21-15)17(20)19-14-7-5-13(6-8-14)11-18-12(2)3/h5-10,12,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyYULDTBSVOUYOFW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.59
Rot. Bonds6

About 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide

5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 106910472) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID106910472
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(CNC(C)C)cc2)o1
InChIInChI=1S/C17H22N2O2/c1-4-15-9-10-16(21-15)17(20)19-14-7-5-13(6-8-14)11-18-12(2)3/h5-10,12,18H,4,11H2,1-3H3,(H,19,20)
InChIKeyYULDTBSVOUYOFW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
5-ethyl-N-[4-(N'-hydroxycarbamimidoyl)phenyl]furan-2-carboxamide
CID 78981155
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 78873760
1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide
CID 106910485
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide (CID 106910472) is 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(CNC(C)C)cc2)o1.
What is the InChIKey of 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is YULDTBSVOUYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-15-9-10-16(21-15)17(20)19-14-7-5-13(6-8-14)11-18-12(2)3/h5-10,12,18H,4,11H2,1-3H3,(H,19,20).
What are the key properties of 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide?
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 106910472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).