N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide

C14H19NO3 — CID 113337544

IUPACN-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC2(CO)CC2)c1
InChIInChI=1S/C14H19NO3/c1-2-8-18-12-5-3-4-11(9-12)13(17)15-14(10-16)6-7-14/h3-5,9,16H,2,6-8,10H2,1H3,(H,15,17)
InChIKeyFESKFEVYHYXTPD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide

N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide (PubChem CID 113337544) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
PubChem CID113337544
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC2(CO)CC2)c1
InChIInChI=1S/C14H19NO3/c1-2-8-18-12-5-3-4-11(9-12)13(17)15-14(10-16)6-7-14/h3-5,9,16H,2,6-8,10H2,1H3,(H,15,17)
InChIKeyFESKFEVYHYXTPD-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-3-methoxybenzamide
CID 115764584
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-(3,3-dimethylcyclopentyl)-3-propoxybenzamide
CID 114550316
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide (CID 113337544) is N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NC2(CO)CC2)c1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide?
The InChIKey is FESKFEVYHYXTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-8-18-12-5-3-4-11(9-12)13(17)15-14(10-16)6-7-14/h3-5,9,16H,2,6-8,10H2,1H3,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide?
N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-3-propoxybenzamide is sourced from PubChem (CID 113337544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).