N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide

C16H23NO3 — CID 114757262

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)20-14-5-3-4-13(10-14)15(19)17-11-16(6-7-16)8-9-18/h3-5,10,12,18H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyCMWCXIUDOGXZFL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds7

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide (PubChem CID 114757262) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide
PubChem CID114757262
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2(CCO)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)20-14-5-3-4-13(10-14)15(19)17-11-16(6-7-16)8-9-18/h3-5,10,12,18H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyCMWCXIUDOGXZFL-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115364317
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912
4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114751099
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methoxy-4-methylbenzamide
CID 114751787
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide
CID 172888624
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide (CID 114757262) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCC2(CCO)CC2)c1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide?
The InChIKey is CMWCXIUDOGXZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)20-14-5-3-4-13(10-14)15(19)17-11-16(6-7-16)8-9-18/h3-5,10,12,18H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.37, 7 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-propan-2-yloxybenzamide is sourced from PubChem (CID 114757262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).