2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide

C14H25N3O2 — CID 61248108

IUPAC2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C14H25N3O2/c1-10(2)8-11(15)14(18)16-9-12(17(3)4)13-6-5-7-19-13/h5-7,10-12H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyCWQYSHKVMPPBJK-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.37
Rot. Bonds7

About 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide

2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide (PubChem CID 61248108) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
PubChem CID61248108
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C14H25N3O2/c1-10(2)8-11(15)14(18)16-9-12(17(3)4)13-6-5-7-19-13/h5-7,10-12H,8-9,15H2,1-4H3,(H,16,18)
InChIKeyCWQYSHKVMPPBJK-UHFFFAOYSA-N
XLogP1.37
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide (CID 61248108) is 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide is CC(C)CC(N)C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide?
The InChIKey is CWQYSHKVMPPBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)8-11(15)14(18)16-9-12(17(3)4)13-6-5-7-19-13/h5-7,10-12H,8-9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide?
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide has a molecular weight of 267.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 61248108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).