(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide

C15H21NO3 — CID 139039824

IUPAC(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide
SMILESNC(=O)[C@H]1CC[C@H](OCc2ccccc2)CCCO1
InChIInChI=1S/C15H21NO3/c16-15(17)14-9-8-13(7-4-10-18-14)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,16,17)/t13-,14-/m1/s1
InChIKeyISHGPTBGYKZXSR-ZIAGYGMSSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds4

About (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide

(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide (PubChem CID 139039824) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide
PubChem CID139039824
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide
SMILESNC(=O)[C@H]1CC[C@H](OCc2ccccc2)CCCO1
InChIInChI=1S/C15H21NO3/c16-15(17)14-9-8-13(7-4-10-18-14)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,16,17)/t13-,14-/m1/s1
InChIKeyISHGPTBGYKZXSR-ZIAGYGMSSA-N
XLogP2.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
azane;cyclopentyloxymethylbenzene
CID 69411306
4-phenylmethoxyoxane
CID 66554133
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
benzyl N-[(2S,3S)-3-phenylmethoxyoxan-2-yl]carbamate
CID 102510511
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
benzene;oxane-2-carboxamide
CID 159532576
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
3-(oxolan-2-yl)-1-phenylmethoxybut-3-en-2-one
CID 10977746

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide?
The IUPAC name of (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide (CID 139039824) is (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide is NC(=O)[C@H]1CC[C@H](OCc2ccccc2)CCCO1.
What is the InChIKey of (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide?
The InChIKey is ISHGPTBGYKZXSR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO3/c16-15(17)14-9-8-13(7-4-10-18-14)19-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H2,16,17)/t13-,14-/m1/s1.
What are the key properties of (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide?
(2R,5R)-5-phenylmethoxyoxocane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-phenylmethoxyoxocane-2-carboxamide is sourced from PubChem (CID 139039824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).