5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide

C12H20N2O2 — CID 82012174

IUPAC5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
SMILESCc1ccc(CNC(=O)CCC(C)CN)o1
InChIInChI=1S/C12H20N2O2/c1-9(7-13)3-6-12(15)14-8-11-5-4-10(2)16-11/h4-5,9H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeyFAVCUIMQILTZGO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.58
Rot. Bonds6

About 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide

5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide (PubChem CID 82012174) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
PubChem CID82012174
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
SMILESCc1ccc(CNC(=O)CCC(C)CN)o1
InChIInChI=1S/C12H20N2O2/c1-9(7-13)3-6-12(15)14-8-11-5-4-10(2)16-11/h4-5,9H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeyFAVCUIMQILTZGO-UHFFFAOYSA-N
XLogP1.58
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 62525022
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]-4-oxobutyl]carbamate
CID 62525074

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The IUPAC name of 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide (CID 82012174) is 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide is Cc1ccc(CNC(=O)CCC(C)CN)o1.
What is the InChIKey of 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The InChIKey is FAVCUIMQILTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(7-13)3-6-12(15)14-8-11-5-4-10(2)16-11/h4-5,9H,3,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide?
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide has a molecular weight of 224.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide is sourced from PubChem (CID 82012174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).