5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide

C11H18N2O3 — CID 115739064

IUPAC5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
SMILESCCC(O)CCNC(=O)c1ccc(CN)o1
InChIInChI=1S/C11H18N2O3/c1-2-8(14)5-6-13-11(15)10-4-3-9(7-12)16-10/h3-4,8,14H,2,5-7,12H2,1H3,(H,13,15)
InChIKeyHVDPCNNVVBZPQA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.63
Rot. Bonds6

About 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide

5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide (PubChem CID 115739064) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
PubChem CID115739064
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
SMILESCCC(O)CCNC(=O)c1ccc(CN)o1
InChIInChI=1S/C11H18N2O3/c1-2-8(14)5-6-13-11(15)10-4-3-9(7-12)16-10/h3-4,8,14H,2,5-7,12H2,1H3,(H,13,15)
InChIKeyHVDPCNNVVBZPQA-UHFFFAOYSA-N
XLogP0.63
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
5-(aminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 106416216
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583
5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
CID 114100067
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475583
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide (CID 115739064) is 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide is CCC(O)CCNC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide?
The InChIKey is HVDPCNNVVBZPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-8(14)5-6-13-11(15)10-4-3-9(7-12)16-10/h3-4,8,14H,2,5-7,12H2,1H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide?
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide is sourced from PubChem (CID 115739064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).