tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate

C15H30N2O4 — CID 115606970

IUPACtert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCCOCC1CCCO1
InChIInChI=1S/C15H30N2O4/c1-15(2,3)21-14(18)17-9-8-16-7-5-10-19-12-13-6-4-11-20-13/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyUMBUTVNAPKEBNN-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.69
Rot. Bonds9

About tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate

tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate (PubChem CID 115606970) has the molecular formula C15H30N2O4 and a molecular weight of 302.41 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
PubChem CID115606970
Molecular FormulaC15H30N2O4
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Nametert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCCOCC1CCCO1
InChIInChI=1S/C15H30N2O4/c1-15(2,3)21-14(18)17-9-8-16-7-5-10-19-12-13-6-4-11-20-13/h13,16H,4-12H2,1-3H3,(H,17,18)
InChIKeyUMBUTVNAPKEBNN-UHFFFAOYSA-N
XLogP1.69
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
tert-butyl 2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetate;hydroiodide
CID 111787414
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79013082
tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate
CID 100839544
tert-butyl N-[1-[N-ethyl-N'-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730946
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate (CID 115606970) is tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNCCCOCC1CCCO1.
What is the InChIKey of tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate?
The InChIKey is UMBUTVNAPKEBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-15(2,3)21-14(18)17-9-8-16-7-5-10-19-12-13-6-4-11-20-13/h13,16H,4-12H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate?
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate has a molecular weight of 302.41 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate is sourced from PubChem (CID 115606970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).