propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate

C17H35NO5 — CID 90975054

IUPACpropyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate
SMILESCCCOC(=O)NCCCOC(C)(C)CCOC(C)(C)COC
InChIInChI=1S/C17H35NO5/c1-7-11-21-15(19)18-10-8-12-22-16(2,3)9-13-23-17(4,5)14-20-6/h7-14H2,1-6H3,(H,18,19)
InChIKeyBEHGJHKDJPVEFK-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.14
Rot. Bonds13

About propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate

propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate (PubChem CID 90975054) has the molecular formula C17H35NO5 and a molecular weight of 333.47 g/mol. Its IUPAC name is propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate
PubChem CID90975054
Molecular FormulaC17H35NO5
Molecular Weight333.47 g/mol
Exact Mass333.25
IUPAC Namepropyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate
SMILESCCCOC(=O)NCCCOC(C)(C)CCOC(C)(C)COC
InChIInChI=1S/C17H35NO5/c1-7-11-21-15(19)18-10-8-12-22-16(2,3)9-13-23-17(4,5)14-20-6/h7-14H2,1-6H3,(H,18,19)
InChIKeyBEHGJHKDJPVEFK-UHFFFAOYSA-N
XLogP3.14
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane
CID 123855545
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
2,3-dioctadecoxypropyl N-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropyl]carbamate
CID 138458679
nonacosan-15-yl N-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropyl]carbamate
CID 142542973
3-(propoxycarbonylamino)propylcarbamic acid
CID 139823184
[2-formamido-3-(octadecylcarbamoyloxy)propyl] N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]carbamate
CID 126747782
N-[3-[2-methyl-4-[2-methyl-4-(prop-2-enoylamino)butan-2-yl]oxybutan-2-yl]oxypropyl]prop-2-enamide
CID 144596587
2,3-dioctadecoxypropyl N-[3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropyl]carbamate
CID 146204794
propyl N-[3-(methylcarbamoylamino)propyl]carbamate
CID 23563503
propyl N-(methoxymethyl)carbamate
CID 142704391
[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-(2-octadecylsulfanylhenicosyl)carbamate
CID 123937474

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate?
The IUPAC name of propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate (CID 90975054) is propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate.
What is the SMILES notation for propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate?
The canonical SMILES for propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate is CCCOC(=O)NCCCOC(C)(C)CCOC(C)(C)COC.
What is the InChIKey of propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate?
The InChIKey is BEHGJHKDJPVEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO5/c1-7-11-21-15(19)18-10-8-12-22-16(2,3)9-13-23-17(4,5)14-20-6/h7-14H2,1-6H3,(H,18,19).
What are the key properties of propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate?
propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate has a molecular weight of 333.47 g/mol, XLogP of 3.14, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-[4-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]carbamate is sourced from PubChem (CID 90975054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).