N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide

C15H21NO3 — CID 114751787

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC2(CCO)CC2)ccc1C
InChIInChI=1S/C15H21NO3/c1-11-3-4-12(9-13(11)19-2)14(18)16-10-15(5-6-15)7-8-17/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyRQVIXHDENWSOKF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.90
Rot. Bonds6

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide (PubChem CID 114751787) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
PubChem CID114751787
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC2(CCO)CC2)ccc1C
InChIInChI=1S/C15H21NO3/c1-11-3-4-12(9-13(11)19-2)14(18)16-10-15(5-6-15)7-8-17/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyRQVIXHDENWSOKF-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4-methyl-3-nitrobenzamide
CID 114751351
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114751099
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
N-[1-(hydroxymethyl)cyclopentyl]-3-methoxy-4-methylbenzamide
CID 62516961
3-methoxy-4-methyl-N-[(2-methylpyrrolidin-2-yl)methyl]benzamide
CID 114761937
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 114751337
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide (CID 114751787) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCC2(CCO)CC2)ccc1C.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is RQVIXHDENWSOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-3-4-12(9-13(11)19-2)14(18)16-10-15(5-6-15)7-8-17/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 114751787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).