ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate

C16H25NO3 — CID 144672490

IUPACethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate
SMILESCC.CCC1(NC(=O)OCc2ccc(OC)cc2)CC1
InChIInChI=1S/C14H19NO3.C2H6/c1-3-14(8-9-14)15-13(16)18-10-11-4-6-12(17-2)7-5-11;1-2/h4-7H,3,8-10H2,1-2H3,(H,15,16);1-2H3
InChIKeyPGJYZRNBQKMMNF-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.89
Rot. Bonds5

About ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate

ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate (PubChem CID 144672490) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate.

Molecular Properties

Compound Nameethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate
PubChem CID144672490
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate
SMILESCC.CCC1(NC(=O)OCc2ccc(OC)cc2)CC1
InChIInChI=1S/C14H19NO3.C2H6/c1-3-14(8-9-14)15-13(16)18-10-11-4-6-12(17-2)7-5-11;1-2/h4-7H,3,8-10H2,1-2H3,(H,15,16);1-2H3
InChIKeyPGJYZRNBQKMMNF-UHFFFAOYSA-N
XLogP3.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61304508
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
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N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)acetamide
CID 113337518
(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
CID 115292702
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
(4-methoxyphenyl)methyl N-[2-(chloromethyl)-3,5-dimethyl-1-adamantyl]carbamate
CID 170722071
(4-methoxyphenyl)methyl 2-[1-(iodomethyl)cyclopropyl]acetate
CID 159308487
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate?
The IUPAC name of ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate (CID 144672490) is ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate.
What is the SMILES notation for ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate?
The canonical SMILES for ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate is CC.CCC1(NC(=O)OCc2ccc(OC)cc2)CC1.
What is the InChIKey of ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate?
The InChIKey is PGJYZRNBQKMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.C2H6/c1-3-14(8-9-14)15-13(16)18-10-11-4-6-12(17-2)7-5-11;1-2/h4-7H,3,8-10H2,1-2H3,(H,15,16);1-2H3.
What are the key properties of ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate?
ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate is sourced from PubChem (CID 144672490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).