tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate

C20H41NO4 — CID 101232205

IUPACtert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate
SMILESCCCCCCCCCCCCOC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-24-17-18(16-22)21-19(23)25-20(2,3)4/h18,22H,5-17H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKeyMEOUWEIDVQBOMC-SFHVURJKSA-N
MW359.55 g/mol
LogP4.81
Rot. Bonds15

About tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate (PubChem CID 101232205) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate
PubChem CID101232205
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC Nametert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate
SMILESCCCCCCCCCCCCOC[C@H](CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-24-17-18(16-22)21-19(23)25-20(2,3)4/h18,22H,5-17H2,1-4H3,(H,21,23)/t18-/m0/s1
InChIKeyMEOUWEIDVQBOMC-SFHVURJKSA-N
XLogP4.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]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)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
tert-butyl N-[(2S)-1-(4-butoxycyclohexyl)oxy-3-hydroxypropan-2-yl]carbamate
CID 122497549
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[(E,2R)-1-hydroxyundec-5-en-2-yl]carbamate
CID 101033038
tert-butyl N-[1-hydroxy-3-(2-tetradecoxyphenyl)propan-2-yl]carbamate
CID 21193346
methyl 3-butoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134525885
10-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]decanoic acid
CID 155189688
tert-butyl N-[1-hydroxy-3-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)ethoxy]propan-2-yl]carbamate
CID 141229821
tert-butyl N-[(2S)-1-ethylsulfanyl-3-hydroxypropan-2-yl]carbamate
CID 23650782
tert-butyl N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]carbamate
CID 11338535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate (CID 101232205) is tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate is CCCCCCCCCCCCOC[C@H](CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate?
The InChIKey is MEOUWEIDVQBOMC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-24-17-18(16-22)21-19(23)25-20(2,3)4/h18,22H,5-17H2,1-4H3,(H,21,23)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate has a molecular weight of 359.55 g/mol, XLogP of 4.81, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-dodecoxy-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 101232205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).