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

C12H20N4O3 — CID 61247741

IUPAC2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide
SMILESCN(C)C(CNC(=O)C(N)CC(N)=O)c1ccco1
InChIInChI=1S/C12H20N4O3/c1-16(2)9(10-4-3-5-19-10)7-15-12(18)8(13)6-11(14)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyHXGUWGJPJFICJO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.80
Rot. Bonds7

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

2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide (PubChem CID 61247741) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide
PubChem CID61247741
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide
SMILESCN(C)C(CNC(=O)C(N)CC(N)=O)c1ccco1
InChIInChI=1S/C12H20N4O3/c1-16(2)9(10-4-3-5-19-10)7-15-12(18)8(13)6-11(14)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyHXGUWGJPJFICJO-UHFFFAOYSA-N
XLogP-0.80
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
CID 81088734
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
CID 65292308
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide (CID 61247741) is 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide is CN(C)C(CNC(=O)C(N)CC(N)=O)c1ccco1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide?
The InChIKey is HXGUWGJPJFICJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-16(2)9(10-4-3-5-19-10)7-15-12(18)8(13)6-11(14)17/h3-5,8-9H,6-7,13H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide?
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide has a molecular weight of 268.32 g/mol, XLogP of -0.80, 7 rotatable bonds, 3 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]butanediamide is sourced from PubChem (CID 61247741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).