[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate

C20H31NO5 — CID 140704596

IUPAC[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCOCCCOc1cc(COC(=O)N(C2CC2)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C20H31NO5/c1-20(2,3)21(16-7-8-16)19(22)26-14-15-11-17(24-5)13-18(12-15)25-10-6-9-23-4/h11-13,16H,6-10,14H2,1-5H3
InChIKeyOHUITUPTQFZVMS-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.01
Rot. Bonds9

About [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate

[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate (PubChem CID 140704596) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate.

Molecular Properties

Compound Name[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
PubChem CID140704596
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Name[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCOCCCOc1cc(COC(=O)N(C2CC2)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C20H31NO5/c1-20(2,3)21(16-7-8-16)19(22)26-14-15-11-17(24-5)13-18(12-15)25-10-6-9-23-4/h11-13,16H,6-10,14H2,1-5H3
InChIKeyOHUITUPTQFZVMS-UHFFFAOYSA-N
XLogP4.01
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
CID 90285225
N-[1-[3-methoxy-5-(3-methoxypropoxy)phenyl]ethyl]-N-[(2-methylpropan-2-yl)oxymethyl]cyclopropanamine
CID 118457752
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
tert-butyl 5-[cyclopropyl-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]carbamoyl]-4-[3-(3-hydroxyphenyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59177544
N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11526556
tert-butyl (3R,4S)-3-[cyclopropyl-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]carbamoyl]-4-[3-[4-(2-ethoxy-2-oxoethoxy)phenyl]phenyl]piperidine-1-carboxylate
CID 58005811
[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate
CID 90858926
3-(2-aminoethyl)-5-(3-methoxypropoxy)phenol
CID 174673991
(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 67543478
tert-butyl (3R,4S)-3-[cyclopropyl-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]carbamoyl]-4-[3-[(3,5-dimethoxyphenyl)methoxy]-5-hydroxyphenyl]piperidine-1-carboxylate
CID 58005868
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
3-[[3-[[3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methoxy]-5-[(2-carboxyacetyl)oxymethyl]phenyl]methoxy]-3-oxopropanoic acid
CID 11193481

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The IUPAC name of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate (CID 140704596) is [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate.
What is the SMILES notation for [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The canonical SMILES for [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate is COCCCOc1cc(COC(=O)N(C2CC2)C(C)(C)C)cc(OC)c1.
What is the InChIKey of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The InChIKey is OHUITUPTQFZVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-20(2,3)21(16-7-8-16)19(22)26-14-15-11-17(24-5)13-18(12-15)25-10-6-9-23-4/h11-13,16H,6-10,14H2,1-5H3.
What are the key properties of [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate has a molecular weight of 365.47 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate is sourced from PubChem (CID 140704596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).