decyl 2-(methoxycarbonylamino)-4-methylpentanoate

C18H35NO4 — CID 6423225

IUPACdecyl 2-(methoxycarbonylamino)-4-methylpentanoate
SMILESCCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OC
InChIInChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-12-13-23-17(20)16(14-15(2)3)19-18(21)22-4/h15-16H,5-14H2,1-4H3,(H,19,21)
InChIKeyYZPVIGGIBKDUEO-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.44
Rot. Bonds13

About decyl 2-(methoxycarbonylamino)-4-methylpentanoate

decyl 2-(methoxycarbonylamino)-4-methylpentanoate (PubChem CID 6423225) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is decyl 2-(methoxycarbonylamino)-4-methylpentanoate.

Molecular Properties

Compound Namedecyl 2-(methoxycarbonylamino)-4-methylpentanoate
PubChem CID6423225
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Namedecyl 2-(methoxycarbonylamino)-4-methylpentanoate
SMILESCCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OC
InChIInChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-12-13-23-17(20)16(14-15(2)3)19-18(21)22-4/h15-16H,5-14H2,1-4H3,(H,19,21)
InChIKeyYZPVIGGIBKDUEO-UHFFFAOYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decyl 2-(ethoxycarbonylamino)-4-methylpentanoate
CID 6424356
pentadecyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837436
heptyl 2-(2-chloroethoxycarbonylamino)-4-methylpentanoate
CID 91731679
octyl (2S)-2-acetamido-4-methylpentanoate
CID 176909899
4-methylpentyl 2-(methoxycarbonylamino)-4-methylpentanoate
CID 6423220
pentadecyl 2-(methoxycarbonylamino)octanoate
CID 91726033
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
butyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837426
nonyl 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91727809
dodecyl (2S)-2-(methoxycarbonylamino)propanoate
CID 20836777
heptyl 2-(methoxycarbonylamino)pent-4-enoate
CID 91713240
hexadecyl 4-methyl-2-(2,2,3,3,3-pentafluoropropanoylamino)pentanoate
CID 91736790

Frequently Asked Questions

What is the IUPAC name of decyl 2-(methoxycarbonylamino)-4-methylpentanoate?
The IUPAC name of decyl 2-(methoxycarbonylamino)-4-methylpentanoate (CID 6423225) is decyl 2-(methoxycarbonylamino)-4-methylpentanoate.
What is the SMILES notation for decyl 2-(methoxycarbonylamino)-4-methylpentanoate?
The canonical SMILES for decyl 2-(methoxycarbonylamino)-4-methylpentanoate is CCCCCCCCCCOC(=O)C(CC(C)C)NC(=O)OC.
What is the InChIKey of decyl 2-(methoxycarbonylamino)-4-methylpentanoate?
The InChIKey is YZPVIGGIBKDUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-12-13-23-17(20)16(14-15(2)3)19-18(21)22-4/h15-16H,5-14H2,1-4H3,(H,19,21).
What are the key properties of decyl 2-(methoxycarbonylamino)-4-methylpentanoate?
decyl 2-(methoxycarbonylamino)-4-methylpentanoate has a molecular weight of 329.48 g/mol, XLogP of 4.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-(methoxycarbonylamino)-4-methylpentanoate is sourced from PubChem (CID 6423225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).