(1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate

C13H25NO4 — CID 145468191

IUPAC(1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate
SMILESCOCC(C)(C)OC(=O)NCCCOCC1CC1
InChIInChI=1S/C13H25NO4/c1-13(2,10-16-3)18-12(15)14-7-4-8-17-9-11-5-6-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyVCZLHXYQIBHJQD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.95
Rot. Bonds9

About (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate

(1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate (PubChem CID 145468191) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate.

Molecular Properties

Compound Name(1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate
PubChem CID145468191
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name(1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate
SMILESCOCC(C)(C)OC(=O)NCCCOCC1CC1
InChIInChI=1S/C13H25NO4/c1-13(2,10-16-3)18-12(15)14-7-4-8-17-9-11-5-6-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyVCZLHXYQIBHJQD-UHFFFAOYSA-N
XLogP1.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 114098055
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
2-[3-(cyclopropylmethoxy)propylcarbamoylamino]-2-methylpropanoic acid
CID 113363068
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201
1-[3-(cyclopropylmethoxy)propyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111608226
ethyl 2-[3-(cyclopropylmethoxy)propylcarbamoylamino]acetate
CID 103603734
tert-butyl N-[2-[[N'-[3-(cyclopropylmethoxy)propyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate
CID 111392495
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate
CID 176845406
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
CID 115352329
methyl 4-(cyclopropylmethoxy)butanoate
CID 43378160
2-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(2-methoxyethyl)acetamide
CID 111391361

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate?
The IUPAC name of (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate (CID 145468191) is (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate.
What is the SMILES notation for (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate?
The canonical SMILES for (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate is COCC(C)(C)OC(=O)NCCCOCC1CC1.
What is the InChIKey of (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate?
The InChIKey is VCZLHXYQIBHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,10-16-3)18-12(15)14-7-4-8-17-9-11-5-6-11/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate?
(1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2-methylpropan-2-yl) N-[3-(cyclopropylmethoxy)propyl]carbamate is sourced from PubChem (CID 145468191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).