(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide

C13H21N3O3 — CID 97237391

IUPAC(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(C)[C@@H](C)c1ccco1
InChIInChI=1S/C13H21N3O3/c1-5-14-13(18)15-12(17)10(3)16(4)9(2)11-7-6-8-19-11/h6-10H,5H2,1-4H3,(H2,14,15,17,18)/t9-,10-/m0/s1
InChIKeyQJYGNQYVJXZVBA-UWVGGRQHSA-N
MW267.33 g/mol
LogP1.51
Rot. Bonds5

About (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide

(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide (PubChem CID 97237391) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide
PubChem CID97237391
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(C)[C@@H](C)c1ccco1
InChIInChI=1S/C13H21N3O3/c1-5-14-13(18)15-12(17)10(3)16(4)9(2)11-7-6-8-19-11/h6-10H,5H2,1-4H3,(H2,14,15,17,18)/t9-,10-/m0/s1
InChIKeyQJYGNQYVJXZVBA-UWVGGRQHSA-N
XLogP1.51
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554
N-(ethylcarbamoyl)-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60638480
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide
CID 78844134
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(ethylcarbamoyl)propanamide
CID 18087462
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)propanamide
CID 51167467
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide (CID 97237391) is (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide is CCNC(=O)NC(=O)[C@H](C)N(C)[C@@H](C)c1ccco1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide?
The InChIKey is QJYGNQYVJXZVBA-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-14-13(18)15-12(17)10(3)16(4)9(2)11-7-6-8-19-11/h6-10H,5H2,1-4H3,(H2,14,15,17,18)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide?
(2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide has a molecular weight of 267.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-[[(1S)-1-(furan-2-yl)ethyl]-methylamino]propanamide is sourced from PubChem (CID 97237391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).