ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate

C16H26N2O4 — CID 38924524

IUPACethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CNC(=O)CCc1ccco1)CC(C)C
InChIInChI=1S/C16H26N2O4/c1-4-21-16(20)18-13(10-12(2)3)11-17-15(19)8-7-14-6-5-9-22-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyYPVKMANUHOHDFN-ZDUSSCGKSA-N
MW310.39 g/mol
LogP2.49
Rot. Bonds9

About ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate

ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate (PubChem CID 38924524) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
PubChem CID38924524
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nameethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)N[C@H](CNC(=O)CCc1ccco1)CC(C)C
InChIInChI=1S/C16H26N2O4/c1-4-21-16(20)18-13(10-12(2)3)11-17-15(19)8-7-14-6-5-9-22-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyYPVKMANUHOHDFN-ZDUSSCGKSA-N
XLogP2.49
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-ethyl-3-(furan-2-yl)propanamide
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ethyl N-[1-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-4-methylpentan-2-yl]carbamate
CID 56504562
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
CID 76952808
benzyl N-[(2R)-1-[[(5S)-1-(furan-2-yl)-4-oxononan-5-yl]amino]-4-methylpentan-2-yl]carbamate
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N-(2-aminoethyl)-3-(furan-2-yl)propanamide
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ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
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ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate (CID 38924524) is ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate is CCOC(=O)N[C@H](CNC(=O)CCc1ccco1)CC(C)C.
What is the InChIKey of ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate?
The InChIKey is YPVKMANUHOHDFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-21-16(20)18-13(10-12(2)3)11-17-15(19)8-7-14-6-5-9-22-14/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate?
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 38924524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).