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

C14H19NO4 — CID 79348785

IUPAC2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCCO)C2CC2)cc1
InChIInChI=1S/C14H19NO4/c1-18-12-6-4-11(5-7-12)13(10-2-3-10)15-14(17)19-9-8-16/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyVRJXHANISKLEQK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.86
Rot. Bonds6

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

2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate (PubChem CID 79348785) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
PubChem CID79348785
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(C(NC(=O)OCCO)C2CC2)cc1
InChIInChI=1S/C14H19NO4/c1-18-12-6-4-11(5-7-12)13(10-2-3-10)15-14(17)19-9-8-16/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyVRJXHANISKLEQK-UHFFFAOYSA-N
XLogP1.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 60705741
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 65229389
2-(aminomethyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 65229390
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113849
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate (CID 79348785) is 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate is COc1ccc(C(NC(=O)OCCO)C2CC2)cc1.
What is the InChIKey of 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
The InChIKey is VRJXHANISKLEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-6-4-11(5-7-12)13(10-2-3-10)15-14(17)19-9-8-16/h4-7,10,13,16H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate?
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 79348785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).