(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide

C13H21N3O3 — CID 97099946

IUPAC(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccoc1C
InChIInChI=1S/C13H21N3O3/c1-5-14-13(18)15-12(17)9(2)16(4)8-11-6-7-19-10(11)3/h6-7,9H,5,8H2,1-4H3,(H2,14,15,17,18)/t9-/m0/s1
InChIKeyWMHSUANHUZIEKR-VIFPVBQESA-N
MW267.33 g/mol
LogP1.25
Rot. Bonds5

About (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide

(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide (PubChem CID 97099946) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
PubChem CID97099946
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
SMILESCCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccoc1C
InChIInChI=1S/C13H21N3O3/c1-5-14-13(18)15-12(17)9(2)16(4)8-11-6-7-19-10(11)3/h6-7,9H,5,8H2,1-4H3,(H2,14,15,17,18)/t9-/m0/s1
InChIKeyWMHSUANHUZIEKR-VIFPVBQESA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide (CID 97099946) is (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide is CCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccoc1C.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
The InChIKey is WMHSUANHUZIEKR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-14-13(18)15-12(17)9(2)16(4)8-11-6-7-19-10(11)3/h6-7,9H,5,8H2,1-4H3,(H2,14,15,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide?
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide has a molecular weight of 267.33 g/mol, XLogP of 1.25, 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-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide is sourced from PubChem (CID 97099946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).