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

C17H27N3O5 — CID 46432538

IUPACethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CCNC(=O)c1ccoc1)CC(C)C
InChIInChI=1S/C17H27N3O5/c1-4-25-17(23)20-14(9-12(2)3)10-19-15(21)5-7-18-16(22)13-6-8-24-11-13/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyTVHJYPQYCRCMMR-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.68
Rot. Bonds10

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

ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate (PubChem CID 46432538) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate
PubChem CID46432538
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Nameethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)CCNC(=O)c1ccoc1)CC(C)C
InChIInChI=1S/C17H27N3O5/c1-4-25-17(23)20-14(9-12(2)3)10-19-15(21)5-7-18-16(22)13-6-8-24-11-13/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyTVHJYPQYCRCMMR-UHFFFAOYSA-N
XLogP1.68
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate
CID 55654909
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 38924524
N-[3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropyl]furan-3-carboxamide
CID 103725537
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[1-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-4-methylpentan-2-yl]carbamate
CID 56504562
ethyl N-[4-methyl-1-[[4-(methylsulfamoyl)benzoyl]amino]pentan-2-yl]carbamate
CID 46432540
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
(2S)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 61136349
ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-3-oxopropyl]furan-3-carboxamide
CID 94003270
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
CID 119587685
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate (CID 46432538) is ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)CCNC(=O)c1ccoc1)CC(C)C.
What is the InChIKey of ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate?
The InChIKey is TVHJYPQYCRCMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-4-25-17(23)20-14(9-12(2)3)10-19-15(21)5-7-18-16(22)13-6-8-24-11-13/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[3-(furan-3-carbonylamino)propanoylamino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 46432538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).