propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate

C24H47N3O5 — CID 23387269

IUPACpropan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate
SMILESCC(C)OC(=O)CCCCCCCCCNC(=O)C(CCCCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H47N3O5/c1-19(2)31-21(28)16-11-9-7-6-8-10-14-18-26-22(29)20(15-12-13-17-25)27-23(30)32-24(3,4)5/h19-20H,6-18,25H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyLAPXLDMDPMYWHV-UHFFFAOYSA-N
MW457.66 g/mol
LogP4.20
Rot. Bonds17

About propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate

propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate (PubChem CID 23387269) has the molecular formula C24H47N3O5 and a molecular weight of 457.66 g/mol. Its IUPAC name is propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate.

Molecular Properties

Compound Namepropan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate
PubChem CID23387269
Molecular FormulaC24H47N3O5
Molecular Weight457.66 g/mol
Exact Mass457.35
IUPAC Namepropan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate
SMILESCC(C)OC(=O)CCCCCCCCCNC(=O)C(CCCCN)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H47N3O5/c1-19(2)31-21(28)16-11-9-7-6-8-10-14-18-26-22(29)20(15-12-13-17-25)27-23(30)32-24(3,4)5/h19-20H,6-18,25H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyLAPXLDMDPMYWHV-UHFFFAOYSA-N
XLogP4.20
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.66
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate with MolForge

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Related Compounds

tert-butyl N-[(3R,6R,15R)-15-(hydroxymethyl)-2,5-dioxo-3-propan-2-yl-1,4-diazacyclopentadec-6-yl]carbamate
CID 44346384
(S)-tert-butyl 1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-ylcarbamate
CID 52950031
ethyl (6S)-6-(2-oxohexadecanoylamino)decanoate
CID 44562726
(2S,5S,8R)-5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3,6,15-trioxo-1,4,7-triazacyclopentadecane-8-carboxylic acid
CID 44286208
(2S,5S,8S)-5-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-3,6,15-trioxo-1,4,7-triazacyclopentadecane-8-carboxylic acid
CID 44286559
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexadecanoate
CID 52941907
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]octadecanoate
CID 52941908
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]tetradecanoate
CID 52943126
Dodecyl 2-[[2-(dodecanoylamino)acetyl]amino]acetate
CID 44315385
(7S)-8-(cyclopentylamino)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoic acid
CID 52947250
tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate
CID 52947269
methyl (7S)-8-(cyclopentylamino)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxooctanoate
CID 52948458

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate?
The IUPAC name of propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate (CID 23387269) is propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate.
What is the SMILES notation for propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate?
The canonical SMILES for propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate is CC(C)OC(=O)CCCCCCCCCNC(=O)C(CCCCN)NC(=O)OC(C)(C)C.
What is the InChIKey of propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate?
The InChIKey is LAPXLDMDPMYWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O5/c1-19(2)31-21(28)16-11-9-7-6-8-10-14-18-26-22(29)20(15-12-13-17-25)27-23(30)32-24(3,4)5/h19-20H,6-18,25H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate?
propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate has a molecular weight of 457.66 g/mol, XLogP of 4.20, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 10-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]decanoate is sourced from PubChem (CID 23387269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).