ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate

C14H19NO3 — CID 61068925

IUPACethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
SMILESCCOC(=O)N(Cc1ccccc1OC)C1CC1
InChIInChI=1S/C14H19NO3/c1-3-18-14(16)15(12-8-9-12)10-11-6-4-5-7-13(11)17-2/h4-7,12H,3,8-10H2,1-2H3
InChIKeyVSANXZGLBVXJKI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.82
Rot. Bonds5

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

ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate (PubChem CID 61068925) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
PubChem CID61068925
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
SMILESCCOC(=O)N(Cc1ccccc1OC)C1CC1
InChIInChI=1S/C14H19NO3/c1-3-18-14(16)15(12-8-9-12)10-11-6-4-5-7-13(11)17-2/h4-7,12H,3,8-10H2,1-2H3
InChIKeyVSANXZGLBVXJKI-UHFFFAOYSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 79272398
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119715404
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 91659471

Frequently Asked Questions

What is the IUPAC name of ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate (CID 61068925) is ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate is CCOC(=O)N(Cc1ccccc1OC)C1CC1.
What is the InChIKey of ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate?
The InChIKey is VSANXZGLBVXJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(16)15(12-8-9-12)10-11-6-4-5-7-13(11)17-2/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate?
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 61068925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).