(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide

C13H21N3O4 — CID 125443269

IUPAC(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)N(CCO)Cc1ccco1)C(=O)N(C)C
InChIInChI=1S/C13H21N3O4/c1-10(12(18)15(2)3)14-13(19)16(6-7-17)9-11-5-4-8-20-11/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,14,19)/t10-/m0/s1
InChIKeyFSGBAPVIGKJLTB-JTQLQIEISA-N
MW283.33 g/mol
LogP0.26
Rot. Bonds6

About (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide

(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide (PubChem CID 125443269) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
PubChem CID125443269
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)N(CCO)Cc1ccco1)C(=O)N(C)C
InChIInChI=1S/C13H21N3O4/c1-10(12(18)15(2)3)14-13(19)16(6-7-17)9-11-5-4-8-20-11/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,14,19)/t10-/m0/s1
InChIKeyFSGBAPVIGKJLTB-JTQLQIEISA-N
XLogP0.26
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
1-benzyl-3-[1-(furan-2-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 110895092
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60653730
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976380
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
1-(furan-2-ylmethyl)-1-(2-hydroxyethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 118763639
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide (CID 125443269) is (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide is C[C@H](NC(=O)N(CCO)Cc1ccco1)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
The InChIKey is FSGBAPVIGKJLTB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O4/c1-10(12(18)15(2)3)14-13(19)16(6-7-17)9-11-5-4-8-20-11/h4-5,8,10,17H,6-7,9H2,1-3H3,(H,14,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide?
(2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[furan-2-ylmethyl(2-hydroxyethyl)carbamoyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 125443269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).