cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide

C18H25NO3 — CID 99779324

IUPACcis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C18H25NO3/c20-16-7-6-14(12-16)17(21)19-13-18(8-10-22-11-9-18)15-4-2-1-3-5-15/h1-5,14,16,20H,6-13H2,(H,19,21)/t14-,16+/m1/s1
InChIKeyRVCJTSTVBGAAIE-ZBFHGGJFSA-N
MW303.40 g/mol
LogP2.01
Rot. Bonds4

About cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 99779324) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID99779324
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namecis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C18H25NO3/c20-16-7-6-14(12-16)17(21)19-13-18(8-10-22-11-9-18)15-4-2-1-3-5-15/h1-5,14,16,20H,6-13H2,(H,19,21)/t14-,16+/m1/s1
InChIKeyRVCJTSTVBGAAIE-ZBFHGGJFSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
(3R)-1-(benzenesulfonyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 100663435
(3S)-1-ethylsulfonyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 98004889
1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 56921660
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide (CID 99779324) is cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is RVCJTSTVBGAAIE-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H25NO3/c20-16-7-6-14(12-16)17(21)19-13-18(8-10-22-11-9-18)15-4-2-1-3-5-15/h1-5,14,16,20H,6-13H2,(H,19,21)/t14-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 99779324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).