tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate

C20H40N2O4 — CID 151817419

IUPACtert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
SMILESCCCCCCCCCC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H40N2O4/c1-8-9-10-11-12-13-14-15-16(21-17(23)25-19(2,3)4)22-18(24)26-20(5,6)7/h16H,8-15H2,1-7H3,(H,21,23)(H,22,24)
InChIKeySBXBCNPWKDEDGC-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.50
Rot. Bonds10

About tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate (PubChem CID 151817419) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
PubChem CID151817419
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate
SMILESCCCCCCCCCC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H40N2O4/c1-8-9-10-11-12-13-14-15-16(21-17(23)25-19(2,3)4)22-18(24)26-20(5,6)7/h16H,8-15H2,1-7H3,(H,21,23)(H,22,24)
InChIKeySBXBCNPWKDEDGC-UHFFFAOYSA-N
XLogP5.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-(1-aminoundecyl)carbamate
CID 170534301
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoic acid
CID 25131811
tert-butyl N-[4-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 171479568
tert-butyl N-[(2R,3S)-1,3-dihydroxydodecan-2-yl]carbamate
CID 138976837
tert-butyl N-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 60730983
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-(2-methylnon-2-en-4-yl)carbamate
CID 138984287
ethyl (3S)-2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]decanoate
CID 134945268
(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]octanoic acid
CID 102076905

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate (CID 151817419) is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate is CCCCCCCCCC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate?
The InChIKey is SBXBCNPWKDEDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-8-9-10-11-12-13-14-15-16(21-17(23)25-19(2,3)4)22-18(24)26-20(5,6)7/h16H,8-15H2,1-7H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate?
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate has a molecular weight of 372.55 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]decyl]carbamate is sourced from PubChem (CID 151817419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).