N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide

C17H25NO3 — CID 110292567

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H25NO3/c19-14-17(10-5-2-6-11-17)13-18-16(20)9-12-21-15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,18,20)
InChIKeyHIRDGUFTBDLPEW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.51
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide (PubChem CID 110292567) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
PubChem CID110292567
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC1(CO)CCCCC1
InChIInChI=1S/C17H25NO3/c19-14-17(10-5-2-6-11-17)13-18-16(20)9-12-21-15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,18,20)
InChIKeyHIRDGUFTBDLPEW-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115362467
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(2-hydroxyphenoxy)acetamide
CID 115362129
2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
CID 104678055
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide (CID 110292567) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide?
The InChIKey is HIRDGUFTBDLPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-14-17(10-5-2-6-11-17)13-18-16(20)9-12-21-15-7-3-1-4-8-15/h1,3-4,7-8,19H,2,5-6,9-14H2,(H,18,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide is sourced from PubChem (CID 110292567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).