tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate

C22H44N2O3 — CID 135363819

IUPACtert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
SMILESCCCCCCCCCCCCNC(=O)C(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C22H44N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-23-19(25)22(5,6)18-24-20(26)27-21(2,3)4/h7-18H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyDLUDWLTUSKVJCO-UHFFFAOYSA-N
MW384.61 g/mol
LogP5.57
Rot. Bonds14

About tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate

tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate (PubChem CID 135363819) has the molecular formula C22H44N2O3 and a molecular weight of 384.61 g/mol. Its IUPAC name is tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
PubChem CID135363819
Molecular FormulaC22H44N2O3
Molecular Weight384.61 g/mol
Exact Mass384.34
IUPAC Nametert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
SMILESCCCCCCCCCCCCNC(=O)C(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C22H44N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-23-19(25)22(5,6)18-24-20(26)27-21(2,3)4/h7-18H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyDLUDWLTUSKVJCO-UHFFFAOYSA-N
XLogP5.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2,2,4,4-tetramethyl-N-octylhexanamide
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CID 107250019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate (CID 135363819) is tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate is CCCCCCCCCCCCNC(=O)C(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate?
The InChIKey is DLUDWLTUSKVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-23-19(25)22(5,6)18-24-20(26)27-21(2,3)4/h7-18H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate?
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate has a molecular weight of 384.61 g/mol, XLogP of 5.57, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate is sourced from PubChem (CID 135363819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).