methyl N-[10-(methoxycarbonylamino)decyl]carbamate

C14H28N2O4 — CID 54285968

IUPACmethyl N-[10-(methoxycarbonylamino)decyl]carbamate
SMILESCOC(=O)NCCCCCCCCCCNC(=O)OC
InChIInChI=1S/C14H28N2O4/c1-19-13(17)15-11-9-7-5-3-4-6-8-10-12-16-14(18)20-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRUDDKVKIAVQINV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.82
Rot. Bonds11

About methyl N-[10-(methoxycarbonylamino)decyl]carbamate

methyl N-[10-(methoxycarbonylamino)decyl]carbamate (PubChem CID 54285968) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is methyl N-[10-(methoxycarbonylamino)decyl]carbamate.

Molecular Properties

Compound Namemethyl N-[10-(methoxycarbonylamino)decyl]carbamate
PubChem CID54285968
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namemethyl N-[10-(methoxycarbonylamino)decyl]carbamate
SMILESCOC(=O)NCCCCCCCCCCNC(=O)OC
InChIInChI=1S/C14H28N2O4/c1-19-13(17)15-11-9-7-5-3-4-6-8-10-12-16-14(18)20-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRUDDKVKIAVQINV-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
4-(methoxycarbonylamino)butylcarbamic acid
CID 139823188
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
methyl N-(4-methylsulfanylbutyl)carbamate
CID 115637048
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
methyl N-hex-5-ynylcarbamate
CID 103758218
methyl N-(3-aminooxypropyl)carbamate
CID 59658343
methane;methyl 6-(methoxycarbonylamino)hexanoate;methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate;hydroiodide
CID 158570553
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048

Frequently Asked Questions

What is the IUPAC name of methyl N-[10-(methoxycarbonylamino)decyl]carbamate?
The IUPAC name of methyl N-[10-(methoxycarbonylamino)decyl]carbamate (CID 54285968) is methyl N-[10-(methoxycarbonylamino)decyl]carbamate.
What is the SMILES notation for methyl N-[10-(methoxycarbonylamino)decyl]carbamate?
The canonical SMILES for methyl N-[10-(methoxycarbonylamino)decyl]carbamate is COC(=O)NCCCCCCCCCCNC(=O)OC.
What is the InChIKey of methyl N-[10-(methoxycarbonylamino)decyl]carbamate?
The InChIKey is RUDDKVKIAVQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-19-13(17)15-11-9-7-5-3-4-6-8-10-12-16-14(18)20-2/h3-12H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[10-(methoxycarbonylamino)decyl]carbamate?
methyl N-[10-(methoxycarbonylamino)decyl]carbamate has a molecular weight of 288.39 g/mol, XLogP of 2.82, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[10-(methoxycarbonylamino)decyl]carbamate is sourced from PubChem (CID 54285968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).