2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate

C14H19NO4 — CID 79346471

IUPAC2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OCCO)C2CC2)cc1
InChIInChI=1S/C14H19NO4/c1-18-13-6-2-11(3-7-13)10-15(12-4-5-12)14(17)19-9-8-16/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyFNRTVFAXWBCNOE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.79
Rot. Bonds6

About 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate

2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 79346471) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID79346471
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(C(=O)OCCO)C2CC2)cc1
InChIInChI=1S/C14H19NO4/c1-18-13-6-2-11(3-7-13)10-15(12-4-5-12)14(17)19-9-8-16/h2-3,6-7,12,16H,4-5,8-10H2,1H3
InChIKeyFNRTVFAXWBCNOE-UHFFFAOYSA-N
XLogP1.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl N-cyclopropyl-N-(hydroxymethyl)carbamate
CID 90285225
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate (CID 79346471) is 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CN(C(=O)OCCO)C2CC2)cc1.
What is the InChIKey of 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is FNRTVFAXWBCNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-6-2-11(3-7-13)10-15(12-4-5-12)14(17)19-9-8-16/h2-3,6-7,12,16H,4-5,8-10H2,1H3.
What are the key properties of 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate?
2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-cyclopropyl-N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 79346471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).