N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide

C17H25NO3 — CID 64868042

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C17H25NO3/c1-14(21-12-15-8-4-2-5-9-15)16(19)18-13-17(20)10-6-3-7-11-17/h2,4-5,8-9,14,20H,3,6-7,10-13H2,1H3,(H,18,19)
InChIKeyZZTGKMQDYLLOGU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds6

About N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide

N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide (PubChem CID 64868042) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
PubChem CID64868042
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C17H25NO3/c1-14(21-12-15-8-4-2-5-9-15)16(19)18-13-17(20)10-6-3-7-11-17/h2,4-5,8-9,14,20H,3,6-7,10-13H2,1H3,(H,18,19)
InChIKeyZZTGKMQDYLLOGU-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
2-ethoxy-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111331443
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
N-[(1-hydroxycyclopentyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111499089
N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
3-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 81064919
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide (CID 64868042) is N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide?
The InChIKey is ZZTGKMQDYLLOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14(21-12-15-8-4-2-5-9-15)16(19)18-13-17(20)10-6-3-7-11-17/h2,4-5,8-9,14,20H,3,6-7,10-13H2,1H3,(H,18,19).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide?
N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 64868042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).