2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide

C14H25N3O3 — CID 81088734

IUPAC2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C14H25N3O3/c1-17(2)12(13-7-5-9-20-13)10-16-14(18)11(15)6-4-8-19-3/h5,7,9,11-12H,4,6,8,10,15H2,1-3H3,(H,16,18)
InChIKeyNCNAYXXPIGZNCM-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.75
Rot. Bonds9

About 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide

2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide (PubChem CID 81088734) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
PubChem CID81088734
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C14H25N3O3/c1-17(2)12(13-7-5-9-20-13)10-16-14(18)11(15)6-4-8-19-3/h5,7,9,11-12H,4,6,8,10,15H2,1-3H3,(H,16,18)
InChIKeyNCNAYXXPIGZNCM-UHFFFAOYSA-N
XLogP0.75
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide
CID 61247741
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 64895752
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
CID 65292308
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
2-amino-N-[4-(furan-2-yl)butan-2-yl]-5-methoxypentanamide
CID 81088081
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
2-amino-N-[(2-hydroxyphenyl)methyl]-5-methoxypentanamide
CID 114332295

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide (CID 81088734) is 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide is COCCCC(N)C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide?
The InChIKey is NCNAYXXPIGZNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-17(2)12(13-7-5-9-20-13)10-16-14(18)11(15)6-4-8-19-3/h5,7,9,11-12H,4,6,8,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide?
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide has a molecular weight of 283.37 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide is sourced from PubChem (CID 81088734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).