2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C19H27NO3 — CID 111430576

IUPAC2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H27NO3/c21-17(14-19(22)8-4-5-9-19)20-15-18(10-12-23-13-11-18)16-6-2-1-3-7-16/h1-3,6-7,22H,4-5,8-15H2,(H,20,21)
InChIKeyVXGWHLMFQPJTLW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.55
Rot. Bonds5

About 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 111430576) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID111430576
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CC1(O)CCCC1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H27NO3/c21-17(14-19(22)8-4-5-9-19)20-15-18(10-12-23-13-11-18)16-6-2-1-3-7-16/h1-3,6-7,22H,4-5,8-15H2,(H,20,21)
InChIKeyVXGWHLMFQPJTLW-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
2-morpholin-4-ium-4-yl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 3532070
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[(4-phenyloxan-4-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 47057294
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 111430576) is 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(CC1(O)CCCC1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is VXGWHLMFQPJTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-17(14-19(22)8-4-5-9-19)20-15-18(10-12-23-13-11-18)16-6-2-1-3-7-16/h1-3,6-7,22H,4-5,8-15H2,(H,20,21).
What are the key properties of 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 111430576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).