(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate

C13H17NO4 — CID 90285225

IUPAC(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
SMILESCOc1ccc(COC(=O)N(CO)C2CC2)cc1
InChIInChI=1S/C13H17NO4/c1-17-12-6-2-10(3-7-12)8-18-13(16)14(9-15)11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3
InChIKeyVKHQXJPRHMKUIU-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.75
Rot. Bonds5

About (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate

(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate (PubChem CID 90285225) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
PubChem CID90285225
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
SMILESCOc1ccc(COC(=O)N(CO)C2CC2)cc1
InChIInChI=1S/C13H17NO4/c1-17-12-6-2-10(3-7-12)8-18-13(16)14(9-15)11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3
InChIKeyVKHQXJPRHMKUIU-UHFFFAOYSA-N
XLogP1.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate
CID 79346471
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596354
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate (CID 90285225) is (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate is COc1ccc(COC(=O)N(CO)C2CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate?
The InChIKey is VKHQXJPRHMKUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-12-6-2-10(3-7-12)8-18-13(16)14(9-15)11-4-5-11/h2-3,6-7,11,15H,4-5,8-9H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate?
(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate has a molecular weight of 251.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate is sourced from PubChem (CID 90285225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).